2,2-Bipyridine (CED0002920)

Record Information
Version1.0
Creation Date2016-05-19 03:48:50 UTC
Update Date2026-08-18 05:33:33 UTC
Accession NumberCHEM012042
Identification
Common Name2,2-Bipyridine
ClassSmall Molecule
Description
2,2-Bipyridine (C10H8N2) is an organic compound with an average molecular weight of 156.18 g/mol. 2,2-Bipyridine belongs to the bipyridines and oligopyridines, a subclass of pyridines and derivatives within the organic compounds. Industrially, the compound serves as a ligand (PMC8169770, PMC9518635). The compound is associated with 36 recorded sources. These include electrical and electronic equipment, specifically antennas, adjustable resistors, coils, auxiliary devices, and conductors or conductive bodies characterised by the conductive materials, among 16 others. It is found in household cleaning and consumer products such as soap detergents, bleaching agents, perfumes within detergents and soaps, cigar cigarettes, and other smoking requisites, along with two additional sources. In the context of food, food processing and cookware, it is linked to food preservation and fermentation processes for beer, wine or sparkling wine, the preparation of malt, and the preparation of vinegar, among others. Additionally, it is recorded in drinking water and water supply, as well as in building and construction materials such as ladders. The recorded exposure route for this compound is oral.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
2,2'-BipyridinChEBI
2,2'-BipyridylChEBI
2,2'-DipyridineChEBI
2,2'-DipyridylChEBI
2-(2-Pyridyl)pyridineChEBI
alpha,Alpha'-bipyridineChEBI
alpha,Alpha'-bipyridylChEBI
alpha,Alpha'-dipyridineChEBI
alpha,Alpha'-dipyridylChEBI
bpyChEBI
a,Alpha'-bipyridineGenerator
Α,alpha'-bipyridineGenerator
a,Alpha'-bipyridylGenerator
Α,alpha'-bipyridylGenerator
a,Alpha'-dipyridineGenerator
Α,alpha'-dipyridineGenerator
a,Alpha'-dipyridylGenerator
Α,alpha'-dipyridylGenerator
Dipyridyl, 2,2HMDB
2,2-DipyridylHMDB
2,2 DipyridylHMDB
2,2 BipyridineHMDB
alpha,alpha DipyridylHMDB
2,2 BipyridylHMDB
2,2-BipyridylHMDB
2,2' DipyridylHMDB
Dipyridyl, 2,2'HMDB
alpha,alpha-DipyridylHMDB
2,2-BipyridineHMDB
2,2' BipyridineHMDB
BipyridylHMDB
Chemical FormulaC10H8N2
Average Molecular Mass156.184 g/mol
Monoisotopic Mass156.069 g/mol
CAS Registry Number366-18-7
IUPAC Name2,2'-bipyridine
Traditional Namebipyridyl
SMILESC1=CC=C(N=C1)C1=CC=CC=N1
InChI IdentifierInChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H
InChI KeyROFVEXUMMXZLPA-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyridines and derivatives
Sub ClassBipyridines and oligopyridines
Direct ParentBipyridines and oligopyridines
Alternative Parents
Substituents
  • Bipyridine
  • Heteroaromatic compound
  • Azacycle
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility15.8 g/LALOGPS
logP1.85ALOGPS
logP1.96ChemAxon
logS-0.99ALOGPS
pKa (Strongest Basic)3.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area25.78 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity46.14 m³·mol⁻¹ChemAxon
Polarizability16.8 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0a4i-1900000000-6b41835e3823a3506206Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-ae997d751927c2f42923Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-0900000000-ae997d751927c2f42923Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0900000000-6ab0e30022201b78804bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0900000000-741cd79f229e23cfee99Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-4900000000-7f2ac703600a1b786f0aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0900000000-c81ab3e67b048e47b8c2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0900000000-d479cfedfd389d5ba2bfNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a6r-2900000000-7b4e15531554572c564cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0900000000-8a6bf55263d2e8824c17Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a59-0900000000-c723d829599eff3e73f6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0w33-3900000000-13d338e4bbfabd9cf3baNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0900000000-55ef27dd0ecfd19d8864Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0900000000-55ef27dd0ecfd19d8864Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0zfr-0900000000-24b2abb55c918013fb94Not AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
256.0Log mg/kg[140:460]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
10InsecticidesAgriculture & land managementNot Available
115Drinking waterDrinking water & water supplyNot Available
233BrushesPersonal care & cosmeticsNot Available
498LaddersBuilding & ConstructionNot Available
504Adjustable ResistorsElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
507Auxiliary DevicesElectrical & Electronic EquipmentNot Available
508CoilsElectrical & Electronic EquipmentNot Available
511Conductors Or Conductive Bodies Characterised By The Conductive MaterialsElectrical & Electronic EquipmentNot Available
513Cores Yokes Or ArmaturesElectrical & Electronic EquipmentNot Available
514Discharge LampsElectrical & Electronic EquipmentNot Available
517Electric SwitchesElectrical & Electronic EquipmentNot Available
518Electrically Stimulated Smoking DevicesElectrical & Electronic EquipmentNot Available
519ElectrodesElectrical & Electronic EquipmentNot Available
520Emergency Protective DevicesElectrical & Electronic EquipmentNot Available
521Fixed Capacitors And Their ManufactureElectrical & Electronic EquipmentNot Available
523Gas Filled Discharge Tubes With Solid CathodeElectrical & Electronic EquipmentNot Available
524Hybrid CapacitorsElectrical & Electronic EquipmentNot Available
527MagnetsElectrical & Electronic EquipmentNot Available
529Power CablesElectrical & Electronic EquipmentNot Available
535Superconducting Magnets And Superconducting CoilsElectrical & Electronic EquipmentNot Available
536Superconductive Or Hyperconductive Conductors Cables Or Transmission LinesElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
538Thin Magnetic FilmsElectrical & Electronic EquipmentNot Available
539Video GamesElectrical & Electronic EquipmentNot Available
544Fermentation Processes For BeerFood, food processing & cookwareNot Available
545Food PreservationFood, food processing & cookwareNot Available
547Preparation Of MaltFood, food processing & cookwareNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
549Preparation Of Wine Or Sparkling WineFood, food processing & cookwareNot Available
551Processing FishFood, food processing & cookwareNot Available
555Bleaching AgentsHousehold cleaning & consumer productsNot Available
556Cigar CigarettesHousehold cleaning & consumer productsNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
561Perfumes Within Detergents And SoapsHousehold cleaning & consumer productsNot Available
563Soap DetergentsHousehold cleaning & consumer productsNot Available
567Tobacco Product CasesHousehold cleaning & consumer productsNot Available
569Tobacco Smoke FiltersHousehold cleaning & consumer productsNot Available
578Making CigarsIndustrial manufacturing & chemical processingNot Available
579Manufacture Of Iron Or SteelIndustrial manufacturing & chemical processingNot Available
580Manufacture Preparation Of Tobacco ProductsIndustrial manufacturing & chemical processingNot Available
581Paper Making MachinesIndustrial manufacturing & chemical processingNot Available
592Marine Propulsion Or SteeringMarine, shipping & aquacultureNot Available
596AcaricidesAgriculture & land managementNot Available
600Herbicides And AlgicidesAgriculture & land managementNot Available
602MolluscicidesAgriculture & land managementNot Available
603NematocidesAgriculture & land managementNot Available
604Pest AttractantsAgriculture & land managementNot Available
605Pest RepellantsAgriculture & land managementNot Available
606Plant Growth RegulatorsAgriculture & land managementNot Available
609AftershavePersonal care & cosmeticsNot Available
611Anti Perspirants Or Body DeoderantsPersonal care & cosmeticsNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
613DepilatoriesPersonal care & cosmeticsNot Available
614Essential Oils Or PerfumesPersonal care & cosmeticsNot Available
615Eye Makeup ProductsPersonal care & cosmeticsNot Available
618Lip Makeup ProductsPersonal care & cosmeticsNot Available
630ToysRecreation & sports surfacesNot Available
632ApparelTextiles, leather & furnishingsNot Available
635ButtonsTextiles, leather & furnishingsNot Available
638Decorating TextilesTextiles, leather & furnishingsNot Available
642FootwearTextiles, leather & furnishingsNot Available
643HeadwearTextiles, leather & furnishingsNot Available
652RopesTextiles, leather & furnishingsNot Available
656Snap FastenersTextiles, leather & furnishingsNot Available
657Surface Finishing Of LeatherTextiles, leather & furnishingsNot Available
661UmbrellasTextiles, leather & furnishingsNot Available
662Yarns Or ThreadsTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureNonstructural protein 1Q194T2Influenza A virusPredicted (SEA)0.622794
C-C chemokine receptor type 8 structureClick to view 3D structureC-C chemokine receptor type 8P51685HumansPredicted (SEA)0.233548
Click to view 3D structureLuciferin 4-monooxygenaseP08659Photinus pyralisPredicted (SEA)5.29375
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)9.6533
Methionine aminopeptidase 1 structureClick to view 3D structureMethionine aminopeptidase 1P53582HumansPredicted (SEA)0.0778492
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)47.5659
Serine/threonine-protein phosphatase PP1-alpha catalytic subunit structureClick to view 3D structureSerine/threonine-protein phosphatase PP1-alpha catalytic subunitP62136HumansPredicted (SEA)1.01204
Photoreceptor-specific nuclear receptor structureClick to view 3D structurePhotoreceptor-specific nuclear receptorQ9Y5X4HumansPredicted (SEA)4.28171
Click to view 3D structureTegument protein VP16P06492Herpes simplex virus (type 1 / strain 17)Predicted (SEA)2.25763
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)16.2705
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)293.569
Click to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)39.236
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)219.691
Coagulation factor XII structureClick to view 3D structureCoagulation factor XIIP00748HumansPredicted (SEA)94.3533
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)131.877
Methionine aminopeptidase 2 structureClick to view 3D structureMethionine aminopeptidase 2P50579HumansPredicted (SEA)1.24559
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)146.201
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00742HumansPredicted (SEA)209.337
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)977.163
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)423.266
Methionine aminopeptidase structureClick to view 3D structureMethionine aminopeptidaseP0AE18Escherichia coli (strain K12)Predicted (SEA)3.50322
Adenosine receptor A1 structureClick to view 3D structureAdenosine receptor A1P30542HumansPredicted (SEA)132.889
Click to view 3D structureBeta-lactamaseQ44079Aeromonas hydrophilaPredicted (SEA)3.26967
Plasma kallikrein structureClick to view 3D structurePlasma kallikreinP03952HumansPredicted (SEA)176.718
Coagulation factor XI structureClick to view 3D structureCoagulation factor XIP03951HumansPredicted (SEA)108.288
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0245352
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDCPD-8819
METLIN IDNot Available
PDB IDNot Available
Wikipedia Link2,2%27-Bipyridine
Chemspider ID13867714
ChEBI ID30351
PubChem Compound ID1474
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDECMDB20251
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=11564534
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=11749322
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=15998024
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=17497019
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=17744054
6. https://www.ncbi.nlm.nih.gov/pubmed/?term=20050605
7. https://www.ncbi.nlm.nih.gov/pubmed/?term=24061243
8. https://www.ncbi.nlm.nih.gov/pubmed/?term=24816007
9. https://www.ncbi.nlm.nih.gov/pubmed/?term=24816017
10. https://www.ncbi.nlm.nih.gov/pubmed/?term=28640600
11. https://www.ncbi.nlm.nih.gov/pubmed/?term=31683694
12. https://www.ncbi.nlm.nih.gov/pubmed/?term=32326057
13. https://www.ncbi.nlm.nih.gov/pubmed/?term=32672448
14. https://www.ncbi.nlm.nih.gov/pubmed/?term=32871080
15. https://www.ncbi.nlm.nih.gov/pubmed/?term=33117818
16. https://www.ncbi.nlm.nih.gov/pubmed/?term=33544614
17. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26.