1-[2-azanyl-5-(trifluoromethyl)pyridin-3-yl]piperidine-4-carboxylate

Systemtic Name: 1-[2-azanyl-5-(trifluoromethyl)pyridin-3-yl]piperidine-4-carboxylate Openeye Name: 1-[2-amino-5-(trifluoromethyl)-3-pyridyl]piperidine-4-carboxylate CAS Name: 1-[2-amino-5-(trifluoromethyl)-3-pyridinyl]-4-piperidinecarboxylate IUPAC Name: 1-[2-amino-5-(trifluoromethyl)pyridin-3-yl]piperidine-4-carboxylate Traditional Name: 1-[2-amino-5-(trifluoromethyl)-3-pyridyl]isonipecotate Formula: C12H13F3N3O2- MolecularWeight: 288.24573

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C2=C(N=CC(=C2)C(F)(F)F)N

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C2=C(N=CC(=C2)C(F)(F)F)N

InChI

InChI=1S/C12H14F3N3O2/c13-12(14,15)8-5-9(10(16)17-6-8)18-3-1-7(2-4-18)11(19)20/h5-7H,1-4H2,(H2,16,17)(H,19,20)/p-1