CHEBI:231005 - 2-(Trifluoromethyl)isonicotinic acid

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ChEBI Name 2-(Trifluoromethyl)isonicotinic acid
ChEBI ID CHEBI:231005
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H4F3NO2
Net Charge 0
Average Mass 191.109
Monoisotopic Mass 191.01941
InChI InChI=1S/C7H4F3NO2/c8-7(9,10)5-3-4(6(12)13)1-2-11-5/h1-3H,(H,12,13)
InChIKey BZFGKBQHQJVAHS-UHFFFAOYSA-N
SMILES FC(F)(F)C1=NC=CC(=C1)C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-(Trifluoromethyl)isonicotinic acid (CHEBI:231005) is a aromatic carboxylic acid (CHEBI:33859)
2-(Trifluoromethyl)isonicotinic acid (CHEBI:231005) is a pyridines (CHEBI:26421)
IUPAC Name
2-(triluoromethyl)pyridine-4-carboxylic acid
Manual Xrefs Databases
15747262 ChemSpider
HMDB0244959 HMDB
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