4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: 4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: 4-isobutyl-6-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylate IUPAC Name: 4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 4-isobutyl-6-(trifluoromethyl)nicotinate Formula: C11H11F3NO2- MolecularWeight: 246.20575

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=NC=C1C(=O)[O-])C(F)(F)F

Isomeric SMILES

CC(C)CC1=CC(=NC=C1C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C11H12F3NO2/c1-6(2)3-7-4-9(11(12,13)14)15-5-8(7)10(16)17/h4-6H,3H2,1-2H3,(H,16,17)/p-1