2-(trifluoromethyl)pyridine-3-carbonitrile (CED0203906)

Record Information

Version

1.0

Creation Date

2026-08-24 00:05:58 UTC

Update Date

2026-08-24 00:05:58 UTC

SynCED ID

CED0203906

Secondary Accession Numbers

CHEM241003

Identification

Common Name

2-(trifluoromethyl)pyridine-3-carbonitrile

Class

Small Molecule

Description

2-(trifluoromethyl)pyridine-3-carbonitrile belongs to the 3-pyridinecarbonitriles, a subclass of pyridines and derivatives within the organic compounds. This organoheterocyclic compound has the formula C7H3F3N2 and an average molecular weight of 172.11 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₃F₃N₂

Average Molecular Mass

172.110 g/mol

Monoisotopic Mass

172.025 g/mol

CAS Registry Number

870066-15-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C7H3F3N2/c8-7(9,10)6-5(4-11)2-1-3-12-6/h1-3H

InChI Key

APSXEJUOOOHRGS-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

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
34.0 Log mg/kg [20:61]	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
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000602	Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.	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

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	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.277 Low confidence Statistical Significance 0.6188 Supporting Reference Compounds 1498 E-value 4817.54
Click to view 3D structure	Advanced glycosylation end product-specific receptor	Q63495	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.237 Low confidence Statistical Significance 0.0035 Supporting Reference Compounds 1 E-value 27.6365
Click to view 3D structure	3',5'-cyclic-AMP phosphodiesterase 4A	O89085	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.234 Low confidence Statistical Significance 0.0026 Supporting Reference Compounds 1 E-value 20.3965
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.315 Statistical Significance 0.4604 Supporting Reference Compounds 1103 E-value 3584.26
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.308 Statistical Significance 0.5579 Supporting Reference Compounds 793 E-value 4343.29
Click to view 3D structure	C-C chemokine receptor type 8	P51685	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.281 Low confidence Statistical Significance 0.0084 Supporting Reference Compounds 17 E-value 65.7826
Click to view 3D structure	Nonstructural protein 1	Q194T2	Influenza A virus	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.281 Low confidence Statistical Significance 0.0402 Supporting Reference Compounds 104 E-value 312.642
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.255 Low confidence Statistical Significance 0.0929 Supporting Reference Compounds 146 E-value 723.297
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.281 Low confidence Statistical Significance 0.7922 Supporting Reference Compounds 1538 E-value 6167.29
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.25 Low confidence Statistical Significance 0.6566 Supporting Reference Compounds 1157 E-value 5111.35
Click to view 3D structure	cAMP-dependent protein kinase catalytic subunit alpha	P17612	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.25 Low confidence Statistical Significance 0.5525 Supporting Reference Compounds 735 E-value 4301.17
Click to view 3D structure	Progesterone receptor	P06401	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.255 Low confidence Statistical Significance 0.0833 Supporting Reference Compounds 119 E-value 648.25
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.25 Low confidence Statistical Significance 0.6454 Supporting Reference Compounds 967 E-value 5024.7
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.291 Low confidence Statistical Significance 0.5696 Supporting Reference Compounds 953 E-value 4434.68
Click to view 3D structure	Androgen receptor	P15207	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.23 Low confidence Statistical Significance 0.0265 Supporting Reference Compounds 73 E-value 206.223
Click to view 3D structure	Mitogen-activated protein kinase kinase kinase kinase 4	O95819	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.25 Low confidence Statistical Significance 0.6106 Supporting Reference Compounds 714 E-value 4753.47
Click to view 3D structure	Tegument protein VP16	P06492	Herpes simplex virus (type 1 / strain 17)	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.362 Statistical Significance 0.1035 Supporting Reference Compounds 75 E-value 805.739
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.25 Low confidence Statistical Significance 0.6924 Supporting Reference Compounds 1022 E-value 5390.2
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.265 Low confidence Statistical Significance 0.2228 Supporting Reference Compounds 205 E-value 1734.17
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.237 Low confidence Statistical Significance 0.798 Supporting Reference Compounds 1130 E-value 6212.06
Click to view 3D structure	C-C chemokine receptor type 1	P32246	Humans	Predicted (SEA)	Prediction Confidence Score 0.219 Applicability Domain 0.281 Low confidence Statistical Significance 0.0817 Supporting Reference Compounds 54 E-value 636.184
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.291 Low confidence Statistical Significance 0.6352 Supporting Reference Compounds 955 E-value 4944.98
Click to view 3D structure	Microsomal prostaglandin E synthase-1	Q2TJZ7	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.218 Low confidence Statistical Significance 0.0023 Supporting Reference Compounds 1 E-value 18.2946
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.229 Low confidence Statistical Significance 0.84 Supporting Reference Compounds 1245 E-value 6539.26
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.25 Low confidence Statistical Significance 0.7377 Supporting Reference Compounds 1274 E-value 5742.7