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CHEBI:194892 - Methyl 4-(trifluoromethyl)nicotinate

Default Structure
ChEBI IDCHEBI:194892
ChEBI NameMethyl 4-(trifluoromethyl)nicotinate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H6F3NO2
Net Charge0
Average Mass205.135
Monoisotopic Mass205.03506
SMILESCOC(=O)c1cnccc1C(F)(F)F
InChIInChI=1S/C8H6F3NO2/c1-14-7(13)5-4-12-3-2-6(5)8(9,10)11/h2-4H,1H3
InChIKeyRFUABQNZKSSKRX-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Methyl 4-(trifluoromethyl)nicotinate (CHEBI:194892) is a aromatic carboxylic acid (CHEBI:33859)
Methyl 4-(trifluoromethyl)nicotinate (CHEBI:194892) is a pyridines (CHEBI:26421)
IUPAC Name 
methyl 4-(triluoromethyl)pyridine-3-carboxylate
Manual XrefsDatabases
2056013ChemSpider