1-(4-chloranylpyridin-2-yl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(4-chloranylpyridin-2-yl)carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(4-chloropyridine-2-carbonyl)piperidine-3-carboxylic acid CAS Name: 1-[(4-chloro-2-pyridinyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(4-chloropyridine-2-carbonyl)piperidine-3-carboxylic acid Traditional Name: 1-(4-chloropicolinoyl)nipecotic acid Formula: C12H13ClN2O3 MolecularWeight: 268.69622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=NC=CC(=C2)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=NC=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C12H13ClN2O3/c13-9-3-4-14-10(6-9)11(16)15-5-1-2-8(7-15)12(17)18/h3-4,6,8H,1-2,5,7H2,(H,17,18)