2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid (CED0203806)

Record Information
Version1.0
Creation Date2026-08-23 23:52:30 UTC
Update Date2026-08-23 23:52:30 UTC
SynCED IDCED0203806
Secondary Accession Numbers
  • CHEM240877
Identification
Common Name2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid
ClassSmall Molecule
Description
2-chloro-5-(trifluoromethyl)pyridine-3-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 TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC7H3ClF3NO2
Average Molecular Mass225.550 g/mol
Monoisotopic Mass224.980 g/mol
CAS Registry Number505084-59-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C7H3ClF3NO2/c8-5-4(6(13)14)1-3(2-12-5)7(9,10)11/h1-2H,(H,13,14)
InChI KeyRMSKYTKOFDQVEL-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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
22.0 Log mg/kg [10:39]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000602Molluscicides?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 managementPubChem
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureACCaseH9BT73Alopecurus japonicusPredicted (SEA)
Prediction Confidence Score
0.392
Applicability Domain
0.392
Statistical Significance
6.00e-05
Supporting Reference Compounds
1
E-value
0.467095
Click to view 3D structureCyclic AMP-dependent transcription factor ATF-1P18846HumansPredicted (SEA)
Prediction Confidence Score
0.345
Applicability Domain
0.375
Statistical Significance
2.20e-04
Supporting Reference Compounds
3
E-value
1.71268
Protoporphyrinogen oxidase, mitochondrial structureClick to view 3D structureProtoporphyrinogen oxidase, mitochondrialO24164Nicotiana tabacumPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.333
Statistical Significance
2.40e-04
Supporting Reference Compounds
1
E-value
1.86838
Transcription factor Jun structureClick to view 3D structureTranscription factor JunP05412HumansPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.413
Statistical Significance
4.90e-04
Supporting Reference Compounds
18
E-value
3.81461
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.375
Statistical Significance
0.0257
Supporting Reference Compounds
201
E-value
199.917
Aspartyl/asparaginyl beta-hydroxylase structureClick to view 3D structureAspartyl/asparaginyl beta-hydroxylaseQ12797HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.447
Statistical Significance
0.0022
Supporting Reference Compounds
17
E-value
17.049
Transient receptor potential cation channel subfamily A member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily A member 1O75762HumansPredicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.348
Statistical Significance
0.0024
Supporting Reference Compounds
70
E-value
18.8395
Exportin-1 structureClick to view 3D structureExportin-1O14980HumansPredicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.375
Statistical Significance
0.0021
Supporting Reference Compounds
9
E-value
16.6597
Click to view 3D structureAdvanced glycosylation end product-specific receptorQ63495Rattus norvegicusPredicted (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
Transthyretin structureClick to view 3D structureTransthyretinP02766HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.375
Statistical Significance
0.0061
Supporting Reference Compounds
55
E-value
47.2545
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.313
Statistical Significance
0.2582
Supporting Reference Compounds
1660
E-value
2009.99
G-protein coupled receptor 35 structureClick to view 3D structureG-protein coupled receptor 35Q9HC97HumansPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.375
Statistical Significance
0.0094
Supporting Reference Compounds
115
E-value
72.8669
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.375
Statistical Significance
0.023
Supporting Reference Compounds
136
E-value
178.742
Nicotinate phosphoribosyltransferase structureClick to view 3D structureNicotinate phosphoribosyltransferaseQ6XQN6HumansPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.348
Statistical Significance
0.0016
Supporting Reference Compounds
12
E-value
12.4559
Nuclear factor NF-kappa-B p105 subunit structureClick to view 3D structureNuclear factor NF-kappa-B p105 subunitP19838HumansPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.375
Statistical Significance
0.0018
Supporting Reference Compounds
18
E-value
14.2464
Sodium channel protein type 10 subunit alpha structureClick to view 3D structureSodium channel protein type 10 subunit alphaQ9Y5Y9HumansPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.313
Statistical Significance
0.0087
Supporting Reference Compounds
38
E-value
67.8845
Mitogen-activated protein kinase 1 structureClick to view 3D structureMitogen-activated protein kinase 1P28482HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.313
Statistical Significance
0.1867
Supporting Reference Compounds
763
E-value
1453.44
MAP kinase-activated protein kinase 3 structureClick to view 3D structureMAP kinase-activated protein kinase 3Q16644HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.313
Statistical Significance
0.1371
Supporting Reference Compounds
503
E-value
1067.08
Click to view 3D structureP2X purinoceptor 7Q99572HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.313
Statistical Significance
0.0062
Supporting Reference Compounds
52
E-value
47.9551
P2X purinoceptor 1 structureClick to view 3D structureP2X purinoceptor 1P51575HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.313
Statistical Significance
0.0087
Supporting Reference Compounds
35
E-value
67.4953
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.375
Statistical Significance
0.0324
Supporting Reference Compounds
226
E-value
252.154
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.375
Statistical Significance
0.0324
Supporting Reference Compounds
227
E-value
252.154
Mitogen-activated protein kinase 14 structureClick to view 3D structureMitogen-activated protein kinase 14Q16539HumansPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.3
Statistical Significance
0.1868
Supporting Reference Compounds
668
E-value
1454.07
Voltage-dependent T-type calcium channel subunit alpha-1H structureClick to view 3D structureVoltage-dependent T-type calcium channel subunit alpha-1HO95180HumansPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.375
Statistical Significance
0.0184
Supporting Reference Compounds
90
E-value
143.32
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)
Prediction Confidence Score
0.266
Applicability Domain
0.34
Statistical Significance
0.2645
Supporting Reference Compounds
1022
E-value
2059.19
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available