2-(chloromethyl)pyridine-3-carbonitrile (CED0205215)

Record Information

Version

1.0

Creation Date

2026-08-24 02:34:58 UTC

Update Date

2026-08-24 02:34:58 UTC

Accession Number

CHEM242736

Identification

Common Name

2-(chloromethyl)pyridine-3-carbonitrile

Class

Small Molecule

Description

2-(chloromethyl)pyridine-3-carbonitrile is an organoheterocyclic compound with the formula C7H5ClN2 and an average molecular weight of 152.58 g/mol. 2-(chloromethyl)pyridine-3-carbonitrile belongs to the 3-pyridinecarbonitriles, a subclass of pyridines and derivatives within the organic compounds. This substance has been found in or released from four recorded sources. These include household cleaning and consumer products, specifically ash trays, as well as electrical and electronic equipment such as line transmission systems. Additionally, it is associated with food, food processing and cookware, specifically in the preparation of wort and the preparation of vinegar.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₅ClN₂

Average Molecular Mass

152.580 g/mol

Monoisotopic Mass

152.014 g/mol

CAS Registry Number

848774-96-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C7H5ClN2/c8-4-7-6(5-9)2-1-3-10-7/h1-3H,4H2

InChI Key

FALRKNHUBBKYCC-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

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
241.0	Log mg/kg	[140:430]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
525	Line Transmission Systems	Electrical & Electronic Equipment	Not Available
548	Preparation Of Vinegar	Food, food processing & cookware	Not Available
550	Preparation Of Wort	Food, food processing & cookware	Not Available
554	Ash Trays	Household cleaning & consumer products	Not Available
616	Face Mask Cosmetics	Personal care & cosmetics	Not Available
648	Nitro Dyes	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

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	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	2146.15
Click to view 3D structure	Microsomal prostaglandin E synthase-1	Q2TJZ7	Sus scrofa	Predicted (SEA)	5.76084
Click to view 3D structure	Nonstructural protein 1	Q194T2	Influenza A virus	Predicted (SEA)	220.235
Click to view 3D structure	C-C chemokine receptor type 8	P51685	Humans	Predicted (SEA)	46.476
Click to view 3D structure	Advanced glycosylation end product-specific receptor	Q63495	Rattus norvegicus	Predicted (SEA)	27.6365
Click to view 3D structure	3',5'-cyclic-AMP phosphodiesterase 4A	O89085	Cavia porcellus	Predicted (SEA)	20.3965
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	6201.16
Click to view 3D structure	C-C chemokine receptor type 1	P32246	Humans	Predicted (SEA)	457.208
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	4341.96
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	6343.93
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	4210.86
Click to view 3D structure	Cytochrome b-c1 complex subunit Rieske, mitochondrial	G2YM83	Botryotinia fuckeliana (strain T4) (Noble rot fungus) (Botrytiscinerea)	Predicted (SEA)	149.938
Click to view 3D structure	Dipeptidyl peptidase 4	P27487	Humans	Predicted (SEA)	783.552
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	3207.78
Click to view 3D structure	5-hydroxytryptamine receptor 3A	O70212	Cavia porcellus	Predicted (SEA)	102.995
Click to view 3D structure	Metallo-beta-lactamase type 2	C7C422	Klebsiella pneumoniae	Predicted (SEA)	67.4174
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	3659.85
Click to view 3D structure	Nitric oxide synthase, inducible	P35228	Humans	Predicted (SEA)	131.877
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	5373.0
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	5842.97
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	5726.74
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	6493.71
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	5474.67
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	6164.26
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	4358.62