2-[2,4-bis(fluoranyl)benzene-6-id-1-yl]pyridine; iridium(3+); pyridine-2-carboxylate

Systemtic Name: 2-[2,4-bis(fluoranyl)benzene-6-id-1-yl]pyridine; iridium(3+); pyridine-2-carboxylate Openeye Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine; iridium(3+); pyridine-2-carboxylate CAS Name: 2-(2,4-difluoro-1-benzene-6-idyl)pyridine; iridium(3+); 2-pyridinecarboxylate IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine; iridium(3+); pyridine-2-carboxylate Traditional Name: 2-(2,4-difluorobenzene-6-id-1-yl)pyridine; iridium(3+); picolinate Formula: C28H16F4IrN3O2 MolecularWeight: 694.656153

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=C(C=C(C=[C-]2)F)F.C1=CC=NC(=C1)C2=C(C=C(C=[C-]2)F)F.C1=CC=NC(=C1)C(=O)[O-].[Ir+3]

Isomeric SMILES

C1=CC=NC(=C1)C2=C(C=C(C=[C-]2)F)F.C1=CC=NC(=C1)C2=C(C=C(C=[C-]2)F)F.C1=CC=NC(=C1)C(=O)[O-].[Ir+3]

InChI

InChI=1S/2C11H6F2N.C6H5NO2.Ir/c2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;8-6(9)5-3-1-2-4-7-5;/h2*1-4,6-7H;1-4H,(H,8,9);/q2*-1;;+3/p-1