2-{3-[(trifluoromethyl)sulfanyl]anilino}nicotinic acid

SpectraBase Compound ID	EjwdfaDncAv
InChI	InChI=1S/C13H9F3N2O2S/c14-13(15,16)21-9-4-1-3-8(7-9)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
InChIKey	DVSUJRJYWLHXNW-UHFFFAOYSA-N Google Search
Mol Weight	314.28 g/mol
Molecular Formula	C13H9F3N2O2S
Exact Mass	314.033683 g/mol

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SpectraBase Spectrum ID	Iw8QI96Q64K
Name	2-[3-(trifluoromethylsulfanyl)anilino]pyridine-3-carboxylic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H9F3N2O2S
InChI	InChI=1S/C13H9F3N2O2S/c14-13(15,16)21-9-4-1-3-8(7-9)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
InChIKey	DVSUJRJYWLHXNW-UHFFFAOYSA-N
Molecular Weight	314.282 g/mol
SMILES	OC(c1c(nccc1)Nc1cc(SC(F)(F)F)ccc1)=O
SPLASH	splash10-03xr-0469000000-32ea07eb8f19b1b29555
Synonyms	2-[3-(trifluoromethylthio)anilino]-3-pyridinecarboxylic acid 2-[3-(trifluoromethylthio)anilino]nicotinic acid 2-[[3-(trifluoromethylsulfanyl)phenyl]amino]pyridine-3-carboxylic acid
Wiley ID	1450885