6-(1,3-dioxopropan-2-yl)pyridine-2-carboxylic acid (CED0226822)

Record Information
Version1.0
Creation Date2026-08-25 20:18:52 UTC
Update Date2026-08-25 20:18:52 UTC
Accession NumberCHEM269804
Identification
Common Name6-(1,3-dioxopropan-2-yl)pyridine-2-carboxylic acid
ClassSmall Molecule
Description
6-(1,3-dioxopropan-2-yl)pyridine-2-carboxylic acid belongs to the pyridinecarboxylic acids and derivatives, a subclass of pyridines and derivatives within the organic compounds. This organoheterocyclic compound has the chemical formula C9H7NO4 and an average molecular weight of 193.16 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H7NO4
Average Molecular Mass193.160 g/mol
Monoisotopic Mass193.038 g/mol
CAS Registry Number212755-80-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C9H7NO4/c11-4-6(5-12)7-2-1-3-8(10-7)9(13)14/h1-6H,(H,13,14)
InChI KeyWVLIQUPRRVSTGK-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
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 PropertiesNot Available
Spectra
SpectraNot Available
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
2754.0Log mg/kg[1500:4900]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
642FootwearTextiles, leather & furnishingsNot Available
696NanotechnologyIndustrial manufacturing & chemical processingNot Available
738Cooling Circuit WaterIndustrial manufacturing & chemical processingNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureBeta-lactamaseQ44079Aeromonas hydrophilaPredicted (SEA)1.01204
Beta-lactamase structureClick to view 3D structureBeta-lactamaseQ9K2N0Pseudomonas aeruginosaPredicted (SEA)0.544945
Nicotinate phosphoribosyltransferase structureClick to view 3D structureNicotinate phosphoribosyltransferaseQ6XQN6HumansPredicted (SEA)5.2159
Click to view 3D structureAdvanced glycosylation end product-specific receptorQ63495Rattus norvegicusPredicted (SEA)9.26406
Lysine-specific demethylase 4E structureClick to view 3D structureLysine-specific demethylase 4EB2RXH2HumansPredicted (SEA)93.2634
Click to view 3D structureProstaglandin E2 receptor EP1 subtypeP34995HumansPredicted (SEA)231.368
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)2726.28
Click to view 3D structureTrans-cinnamate 4-monooxygenaseQ04468Helianthus tuberosusPredicted (SEA)22.187
Insulin-like growth factor-binding protein 6 structureClick to view 3D structureInsulin-like growth factor-binding protein 6P24592HumansPredicted (SEA)3.97031
Insulin-like growth factor-binding protein 1 structureClick to view 3D structureInsulin-like growth factor-binding protein 1P08833HumansPredicted (SEA)3.97031
Insulin-like growth factor-binding protein 4 structureClick to view 3D structureInsulin-like growth factor-binding protein 4P22692HumansPredicted (SEA)3.97031
Insulin-like growth factor-binding protein 2 structureClick to view 3D structureInsulin-like growth factor-binding protein 2P18065HumansPredicted (SEA)3.97031
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)1379.57
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)989.464
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)1144.15
Lysine-specific demethylase 4A structureClick to view 3D structureLysine-specific demethylase 4AO75164HumansPredicted (SEA)98.7907
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)4601.59
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)4289.41
RNA demethylase ALKBH5 structureClick to view 3D structureRNA demethylase ALKBH5Q6P6C2HumansPredicted (SEA)6.22794
Lysine-specific demethylase 5A structureClick to view 3D structureLysine-specific demethylase 5AP29375HumansPredicted (SEA)130.475
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)4144.93
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)1272.13
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)3516.22
Metallo-beta-lactamase IMP-1 structureClick to view 3D structureMetallo-beta-lactamase IMP-1P52699Serratia marcescensPredicted (SEA)0.0778492
Metallo-beta-lactamase type 2 structureClick to view 3D structureMetallo-beta-lactamase type 2C7C422Klebsiella pneumoniaePredicted (SEA)0.622794
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available