EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:231005 - 2-(Trifluoromethyl)isonicotinic acid

Default Structure
ChEBI IDCHEBI:231005
ChEBI Name2-(Trifluoromethyl)isonicotinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H4F3NO2
Net Charge0
Average Mass191.108
Monoisotopic Mass191.01941
SMILESO=C(O)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C7H4F3NO2/c8-7(9,10)5-3-4(6(12)13)1-2-11-5/h1-3H,(H,12,13)
InChIKeyBZFGKBQHQJVAHS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
15747262ChemSpider
HMDB0244959HMDB