5-chloro-2-(trifluoromethyl)pyridine-4-carboxylic acid (CED0203802)

Record Information

Version

1.0

Creation Date

2026-08-23 23:52:00 UTC

Update Date

2026-08-23 23:52:00 UTC

SynCED ID

CED0203802

Secondary Accession Numbers

CHEM240872

Identification

Common Name

5-chloro-2-(trifluoromethyl)pyridine-4-carboxylic acid

Class

Small Molecule

Description

5-chloro-2-(trifluoromethyl)pyridine-4-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 C7H3ClF3NO2 and an average molecular weight of 225.55 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₃ClF₃NO₂

Average Molecular Mass

225.550 g/mol

Monoisotopic Mass

224.980 g/mol

CAS Registry Number

823222-01-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C7H3ClF3NO2/c8-4-2-12-5(7(9,10)11)1-3(4)6(13)14/h1-2H,(H,13,14)

InChI Key

FLNMNRMAYBXCCM-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
22.0 Log mg/kg [10:39]	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	Utrophin	E9Q6R7	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.327 Applicability Domain 0.327 Statistical Significance 4.50e-04 Supporting Reference Compounds 1 E-value 3.50322
Click to view 3D structure	Cyclic AMP-dependent transcription factor ATF-1	P18846	Humans	Predicted (SEA)	Prediction Confidence Score 0.327 Applicability Domain 0.333 Statistical Significance 3.60e-04 Supporting Reference Compounds 3 E-value 2.80257
Click to view 3D structure	ACCase	H9BT73	Alopecurus japonicus	Predicted (SEA)	Prediction Confidence Score 0.315 Applicability Domain 0.315 Statistical Significance 3.90e-04 Supporting Reference Compounds 1 E-value 3.03612
Click to view 3D structure	Protoporphyrinogen oxidase, mitochondrial	O24164	Nicotiana tabacum	Predicted (SEA)	Prediction Confidence Score 0.309 Applicability Domain 0.309 Statistical Significance 4.90e-04 Supporting Reference Compounds 1 E-value 3.81461
Click to view 3D structure	Advanced glycosylation end product-specific receptor	Q63495	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.282 Low confidence Statistical Significance 6.30e-04 Supporting Reference Compounds 1 E-value 4.9045
Click to view 3D structure	Macrophage colony-stimulating factor 1 receptor	P07333	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.322 Statistical Significance 0.1605 Supporting Reference Compounds 833 E-value 1249.32
Click to view 3D structure	Aspartyl/asparaginyl beta-hydroxylase	Q12797	Humans	Predicted (SEA)	Prediction Confidence Score 0.28 Applicability Domain 0.447 Statistical Significance 0.0023 Supporting Reference Compounds 17 E-value 17.9832
Click to view 3D structure	ERO1-like protein alpha	Q8R180	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.277 Low confidence Statistical Significance 2.80e-04 Supporting Reference Compounds 1 E-value 2.17978
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.32 Statistical Significance 0.0397 Supporting Reference Compounds 201 E-value 309.295
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.322 Statistical Significance 0.3009 Supporting Reference Compounds 1245 E-value 2342.48
Click to view 3D structure	Mitogen-activated protein kinase 1	P28482	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.288 Low confidence Statistical Significance 0.1876 Supporting Reference Compounds 763 E-value 1460.76
Click to view 3D structure	MAP kinase-activated protein kinase 3	Q16644	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.288 Low confidence Statistical Significance 0.138 Supporting Reference Compounds 503 E-value 1074.01
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.288 Low confidence Statistical Significance 0.224 Supporting Reference Compounds 967 E-value 1743.9
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.288 Low confidence Statistical Significance 0.294 Supporting Reference Compounds 1660 E-value 2289.0
Click to view 3D structure	Serine/threonine-protein kinase Chk1	O14757	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.288 Low confidence Statistical Significance 0.1998 Supporting Reference Compounds 807 E-value 1555.82
Click to view 3D structure	Serine/threonine-protein kinase PLK1	P53350	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.288 Low confidence Statistical Significance 0.1811 Supporting Reference Compounds 705 E-value 1409.85
Click to view 3D structure	Serine/threonine-protein kinase PAK 1	Q13153	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.288 Low confidence Statistical Significance 0.1627 Supporting Reference Compounds 595 E-value 1267.0
Click to view 3D structure	Rho-associated protein kinase 1	Q13464	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.288 Low confidence Statistical Significance 0.216 Supporting Reference Compounds 834 E-value 1681.7
Click to view 3D structure	Protein kinase C delta type	Q05655	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.288 Low confidence Statistical Significance 0.1706 Supporting Reference Compounds 681 E-value 1328.42
Click to view 3D structure	Serine/threonine-protein kinase D2	Q9BZL6	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.288 Low confidence Statistical Significance 0.1696 Supporting Reference Compounds 604 E-value 1320.09
Click to view 3D structure	Cyclin-dependent kinase 5	Q00535	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.288 Low confidence Statistical Significance 0.1998 Supporting Reference Compounds 779 E-value 1555.82
Click to view 3D structure	Serine/threonine-protein kinase MRCK alpha	Q5VT25	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.288 Low confidence Statistical Significance 0.1622 Supporting Reference Compounds 572 E-value 1263.1
Click to view 3D structure	RAC-gamma serine/threonine-protein kinase	Q9Y243	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.288 Low confidence Statistical Significance 0.1692 Supporting Reference Compounds 620 E-value 1317.21
Click to view 3D structure	Serine/threonine-protein kinase Nek2	P51955	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.288 Low confidence Statistical Significance 0.1819 Supporting Reference Compounds 660 E-value 1415.92
Click to view 3D structure	Protein kinase C gamma type	P05129	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.288 Low confidence Statistical Significance 0.148 Supporting Reference Compounds 552 E-value 1152.56