2-(cyanomethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(cyanomethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 2-(cyanomethyl)-4-isobutyl-6-(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 2-(cyanomethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 2-(cyanomethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 2-(cyanomethyl)-4-isobutyl-6-(trifluoromethyl)nicotinic acid Formula: C13H13F3N2O2 MolecularWeight: 286.24973

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=NC(=C1C(=O)O)CC#N)C(F)(F)F

Isomeric SMILES

CC(C)CC1=CC(=NC(=C1C(=O)O)CC#N)C(F)(F)F

InChI

InChI=1S/C13H13F3N2O2/c1-7(2)5-8-6-10(13(14,15)16)18-9(3-4-17)11(8)12(19)20/h6-7H,3,5H2,1-2H3,(H,19,20)