2-[4,5-bis(trifluoromethyl)pyrazol-2-id-3-yl]pyridine; iridium; pyridine-2-carboxylic acid

Systemtic Name: 2-[4,5-bis(trifluoromethyl)pyrazol-2-id-3-yl]pyridine; iridium; pyridine-2-carboxylic acid Openeye Name: 2-[4,5-bis(trifluoromethyl)pyrazol-2-id-3-yl]pyridine; iridium; pyridine-2-carboxylic acid CAS Name: 2-[4,5-bis(trifluoromethyl)-3-pyrazol-2-idyl]pyridine; iridium; 2-pyridinecarboxylic acid IUPAC Name: 2-[4,5-bis(trifluoromethyl)pyrazol-2-id-3-yl]pyridine; iridium; pyridine-2-carboxylic acid Traditional Name: 2-[4,5-bis(trifluoromethyl)pyrazol-2-id-3-yl]pyridine; iridium; picolinic acid Formula: C16H9F6IrN4O2- MolecularWeight: 595.475679

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=C(C(=N[N-]2)C(F)(F)F)C(F)(F)F.C1=CC=NC(=C1)C(=O)O.[Ir]

Isomeric SMILES

C1=CC=NC(=C1)C2=C(C(=N[N-]2)C(F)(F)F)C(F)(F)F.C1=CC=NC(=C1)C(=O)O.[Ir]

InChI

InChI=1S/C10H4F6N3.C6H5NO2.Ir/c11-9(12,13)6-7(5-3-1-2-4-17-5)18-19-8(6)10(14,15)16;8-6(9)5-3-1-2-4-7-5;/h1-4H;1-4H,(H,8,9);/q-1;;