1-[4-[bis(fluoranyl)methyl]-6-cyclopropyl-pyrimidin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-[bis(fluoranyl)methyl]-6-cyclopropyl-pyrimidin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-cyclopropyl-6-(difluoromethyl)-2-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]isonipecotic acid Formula: C14H17F2N3O2 MolecularWeight: 297.300486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NC(=N2)N3CCC(CC3)C(=O)O)C(F)F

Isomeric SMILES

C1CC1C2=CC(=NC(=N2)N3CCC(CC3)C(=O)O)C(F)F

InChI

InChI=1S/C14H17F2N3O2/c15-12(16)11-7-10(8-1-2-8)17-14(18-11)19-5-3-9(4-6-19)13(20)21/h7-9,12H,1-6H2,(H,20,21)