5-cyanopyridine-2-carboxylic acid; 2-(4-fluoranylbenzene-6-id-1-yl)pyridine; iridium

Systemtic Name: 5-cyanopyridine-2-carboxylic acid; 2-(4-fluoranylbenzene-6-id-1-yl)pyridine; iridium Openeye Name: 5-cyanopyridine-2-carboxylic acid; 2-(4-fluorobenzene-6-id-1-yl)pyridine; iridium CAS Name: 5-cyano-2-pyridinecarboxylic acid; 2-(4-fluoro-1-benzene-6-idyl)pyridine; iridium IUPAC Name: 5-cyanopyridine-2-carboxylic acid; 2-(4-fluorobenzene-6-id-1-yl)pyridine; iridium Traditional Name: 5-cyanopicolinic acid; 2-(4-fluorobenzene-6-id-1-yl)pyridine; iridium Formula: C18H11FIrN3O2- MolecularWeight: 512.514243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CC=C(C=[C-]2)F.C1=CC(=NC=C1C#N)C(=O)O.[Ir]

Isomeric SMILES

C1=CC=NC(=C1)C2=CC=C(C=[C-]2)F.C1=CC(=NC=C1C#N)C(=O)O.[Ir]

InChI

InChI=1S/C11H7FN.C7H4N2O2.Ir/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;8-3-5-1-2-6(7(10)11)9-4-5;/h1-4,6-8H;1-2,4H,(H,10,11);/q-1;;