4-(trifluoromethyl)nicotinic acid (CHEBI:194252)

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CHEBI:194252 - 4-(trifluoromethyl)nicotinic acid

Default Structure

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ChEBI ID	CHEBI:194252
ChEBI Name	4-(trifluoromethyl)nicotinic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C7H4F3NO2
Net Charge	0
Average Mass	191.108
Monoisotopic Mass	191.01941
SMILES	O=C(O)c1cnccc1C(F)(F)F
InChI	InChI=1S/C7H4F3NO2/c8-7(9,10)5-1-2-11-3-4(5)6(12)13/h1-3H,(H,12,13)
InChIKey	LMRJHNFECNKDKH-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	peripheral blood mononuclear cell (BTO:0001025)	MetaboLights (MTBLS6661)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	4-(trifluoromethyl)nicotinic acid (CHEBI:194252) is a aromatic carboxylic acid (CHEBI:33859)
	4-(trifluoromethyl)nicotinic acid (CHEBI:194252) is a pyridines (CHEBI:26421)

IUPAC Name
4-(triluoromethyl)pyridine-3-carboxylic acid

Manual Xrefs	Databases
2057827	ChemSpider