1-[6-(trifluoromethyl)pyridin-3-yl]carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[6-(trifluoromethyl)pyridin-3-yl]carbonylpiperidine-3-carboxylic acid Openeye Name: 1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid CAS Name: 1-[oxo-[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid Traditional Name: 1-[6-(trifluoromethyl)nicotinoyl]nipecotic acid Formula: C13H13F3N2O3 MolecularWeight: 302.24913

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CN=C(C=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CN=C(C=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C13H13F3N2O3/c14-13(15,16)10-4-3-8(6-17-10)11(19)18-5-1-2-9(7-18)12(20)21/h3-4,6,9H,1-2,5,7H2,(H,20,21)