4-(2-methylpropyl)-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(2-methylpropyl)-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid Openeye Name: 4-isobutyl-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid CAS Name: 4-(2-methylpropyl)-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid IUPAC Name: 4-(2-methylpropyl)-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid Traditional Name: 4-isobutyl-2,6-bis(trifluoromethyl)dinicotinic acid Formula: C13H11F6NO4 MolecularWeight: 359.221159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11F6NO4/c1-4(2)3-5-6(10(21)22)8(12(14,15)16)20-9(13(17,18)19)7(5)11(23)24/h4H,3H2,1-2H3,(H,21,22)(H,23,24)