2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid

Systemtic Name: 2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid Openeye Name: 2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid CAS Name: 2-[2-methyl-3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid Traditional Name: 2-[2-methyl-3-(trifluoromethyl)anilino]nicotinic acid Formula: C28H22F6N4O4 MolecularWeight: 592.489099

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC2=C(C=CC=N2)C(=O)O)C(F)(F)F.CC1=C(C=CC=C1NC2=C(C=CC=N2)C(=O)O)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC=C1NC2=C(C=CC=N2)C(=O)O)C(F)(F)F.CC1=C(C=CC=C1NC2=C(C=CC=N2)C(=O)O)C(F)(F)F

InChI

InChI=1S/2C14H11F3N2O2/c2*1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12/h2*2-7H,1H3,(H,18,19)(H,20,21)