2-[bis(fluoranyl)methyl]-4-(2-methylpropyl)-5-pyrazol-1-ylcarbonyl-6-(trifluoromethyl)pyridine-3-carboxylic acid

Systemtic Name: 2-[bis(fluoranyl)methyl]-4-(2-methylpropyl)-5-pyrazol-1-ylcarbonyl-6-(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 2-(difluoromethyl)-4-isobutyl-5-(pyrazole-1-carbonyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 2-(difluoromethyl)-4-(2-methylpropyl)-5-[oxo(1-pyrazolyl)methyl]-6-(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 2-(difluoromethyl)-4-(2-methylpropyl)-5-(pyrazole-1-carbonyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 2-(difluoromethyl)-4-isobutyl-5-(pyrazole-1-carbonyl)-6-(trifluoromethyl)nicotinic acid Formula: C16H14F5N3O3 MolecularWeight: 391.292676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=NC(=C1C(=O)O)C(F)F)C(F)(F)F)C(=O)N2C=CC=N2

Isomeric SMILES

CC(C)CC1=C(C(=NC(=C1C(=O)O)C(F)F)C(F)(F)F)C(=O)N2C=CC=N2

InChI

InChI=1S/C16H14F5N3O3/c1-7(2)6-8-9(15(26)27)11(13(17)18)23-12(16(19,20)21)10(8)14(25)24-5-3-4-22-24/h3-5,7,13H,6H2,1-2H3,(H,26,27)