1h-pyrrolo[3,2-b]pyridine (CED0206468)

Record Information

Version

1.0

Creation Date

2026-08-24 05:31:17 UTC

Update Date

2026-08-24 05:31:17 UTC

SynCED ID

CED0206468

Secondary Accession Numbers

CHEM244413

Identification

Common Name

1h-pyrrolo[3,2-b]pyridine

Class

Small Molecule

Description

1h-pyrrolo[3,2-b]pyridine is an organic compound with the formula C7H6N2 and an average molecular weight of 118.14 g/mol. 1h-pyrrolo[3,2-b]pyridine belongs to the pyrrolopyridines, a class of organoheterocyclic compounds within the organic compounds. This substance is found in or released from four recorded sources. These include food preservation within the category of food, food processing & cookware, as well as electrical & electronic equipment, specifically hybrid capacitors, electrodes, and conductors or conductive bodies characterised by the conductive materials.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₆N₂

Average Molecular Mass

118.140 g/mol

Monoisotopic Mass

118.053 g/mol

CAS Registry Number

272-49-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C7H6N2/c1-2-6-7(8-4-1)3-5-9-6/h1-5,9H

InChI Key

XWIYUCRMWCHYJR-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	Not Available	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
265.0 Log mg/kg [150:470]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	PubChem
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000610	Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.	Personal care & cosmetics	PubChem
CEDs000633	Azo Dyes?Azo dyes are synthetic organic compounds characterized by the presence of one or more azo groups (-N=N-), which are widely used for coloring textiles, leather, and furnishings.	Textiles, leather & furnishings	PubChem
CEDs000662	Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.	Textiles, leather & furnishings	PubChem
CEDs000671	Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.	Aviation & Aerospace	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000711	Coloured Pencils?Coloured pencils are commonly used tools for artistic expression and education, composed primarily of a wood casing and a core made from a mixture of pigments, binders, and waxes.	Paper, pulp & fiber products	PubChem
CEDs000716	Erasers?Erasers, commonly used in writing and drawing applications, are often made from synthetic rubber or thermoplastic materials, which can contain various additives such as plasticizers, fillers, and colorants.	Paper, pulp & fiber products	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Nonstructural protein 1	Q194T2	Influenza A virus	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.321 Statistical Significance 0.0082 Supporting Reference Compounds 104 E-value 63.6028
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.297 Low confidence Statistical Significance 0.2341 Supporting Reference Compounds 906 E-value 1822.37
Click to view 3D structure	Advanced glycosylation end product-specific receptor	Q63495	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.265 Low confidence Statistical Significance 0.0011 Supporting Reference Compounds 1 E-value 8.56341
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	P42336	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.308 Statistical Significance 0.1369 Supporting Reference Compounds 536 E-value 1065.99
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.313 Statistical Significance 0.4177 Supporting Reference Compounds 1538 E-value 3251.84
Click to view 3D structure	C-C chemokine receptor type 8	P51685	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.321 Statistical Significance 0.0021 Supporting Reference Compounds 17 E-value 16.0369
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	O00329	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.308 Statistical Significance 0.1377 Supporting Reference Compounds 459 E-value 1071.67
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	P48736	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.308 Statistical Significance 0.1417 Supporting Reference Compounds 450 E-value 1103.43
Click to view 3D structure	Methionine aminopeptidase 2	P50579	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.273 Low confidence Statistical Significance 0.0011 Supporting Reference Compounds 26 E-value 8.87481
Click to view 3D structure	Cyclin-dependent kinase 9	P50750	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.297 Low confidence Statistical Significance 0.1942 Supporting Reference Compounds 426 E-value 1512.22
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.297 Low confidence Statistical Significance 0.2985 Supporting Reference Compounds 742 E-value 2323.72
Click to view 3D structure	Cyclin-dependent kinase 8	P49336	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.297 Low confidence Statistical Significance 0.1996 Supporting Reference Compounds 367 E-value 1553.64
Click to view 3D structure	cAMP-dependent protein kinase catalytic subunit alpha	P17612	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.297 Low confidence Statistical Significance 0.2982 Supporting Reference Compounds 735 E-value 2321.62
Click to view 3D structure	Cyclin-dependent kinase 5	Q00535	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.297 Low confidence Statistical Significance 0.3136 Supporting Reference Compounds 779 E-value 2441.43
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.263 Low confidence Statistical Significance 0.3633 Supporting Reference Compounds 967 E-value 2828.42
Click to view 3D structure	C-C chemokine receptor type 1	P32246	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.321 Statistical Significance 0.0157 Supporting Reference Compounds 54 E-value 122.535
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.25 Low confidence Statistical Significance 0.2863 Supporting Reference Compounds 953 E-value 2228.9
Click to view 3D structure	Methionine aminopeptidase	P0AE18	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.256 Low confidence Statistical Significance 0.003 Supporting Reference Compounds 13 E-value 23.0434
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase kinase 2	Q12851	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.297 Low confidence Statistical Significance 0.3296 Supporting Reference Compounds 657 E-value 2565.68
Click to view 3D structure	Death-associated protein kinase 3	O43293	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.297 Low confidence Statistical Significance 0.312 Supporting Reference Compounds 599 E-value 2428.9
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase kinase 4	O95819	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.297 Low confidence Statistical Significance 0.3565 Supporting Reference Compounds 714 E-value 2775.25
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.263 Low confidence Statistical Significance 0.4512 Supporting Reference Compounds 1157 E-value 3512.63
Click to view 3D structure	Dual specificity mitogen-activated protein kinase kinase 1	Q02750	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.297 Low confidence Statistical Significance 0.2639 Supporting Reference Compounds 391 E-value 2054.21
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.297 Low confidence Statistical Significance 0.5219 Supporting Reference Compounds 1660 E-value 4063.11
Click to view 3D structure	Inhibitor of nuclear factor kappa-B kinase subunit beta	O14920	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.297 Low confidence Statistical Significance 0.2508 Supporting Reference Compounds 389 E-value 1952.85