1-(5-bromanylpyridin-3-yl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(5-bromanylpyridin-3-yl)carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(5-bromopyridine-3-carbonyl)piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-3-pyridinyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(5-bromopyridine-3-carbonyl)piperidine-3-carboxylic acid Traditional Name: 1-(5-bromonicotinoyl)nipecotic acid Formula: C12H13BrN2O3 MolecularWeight: 313.14722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=CN=C2)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC(=CN=C2)Br)C(=O)O

InChI

InChI=1S/C12H13BrN2O3/c13-10-4-9(5-14-6-10)11(16)15-3-1-2-8(7-15)12(17)18/h4-6,8H,1-3,7H2,(H,17,18)