2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3H-pyrazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione

C79H64F11Ir3N10O6-7 — CID 159724790

About 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3H-pyrazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione

2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3H-pyrazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione (PubChem CID 159724790) has the molecular formula C79H64F11Ir3N10O6-7 and a molecular weight of 2035.07 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3H-pyrazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione.

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3H-pyrazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione
• PubChem CID: 159724790
• Molecular Formula: C79H64F11Ir3N10O6-7
• Molecular Weight: 2035.07 g/mol
• Exact Mass: 2036.38
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3H-pyrazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione
• SMILES: CC(C)(C)C(=O)CC(=O)C(C)(C)C.COc1ccnc(-c2[c-]cc(F)cc2F)c1.Fc1c[c-]c(-[n+]2ccc[n-]2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1c[c-]c(N2C=CC[N-]2)c(F)c1.Fc1ccc[c-]c1-c1ccccn1.O=C(O)c1ccccn1.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C12H8F2NO.C11H7FN.C11H20O2.C9H6F2N2.2C9H5F2N2.C6H5NO2.3Ir/c1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;13-9-1-2-10(11(14)6-9)12-5-8(7-16)3-4-15-12;12-10-6-2-1-5-9(10)11-7-3-4-8-13-11;1-10(2,3)8(12)7-9(13)11(4,5)6;3*10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;8-6(9)5-3-1-2-4-7-5;;;/h2,4-7H,1H3;1,3-6,16H,7H2;1-4,6-8H;7H2,1-6H3;1-2,5-6H,4H2;2*1-2,4-6H;1-4H,(H,8,9);;;/q3*-1;;-2;2*-1
• InChIKey: BLCPNXBZRDLARY-UHFFFAOYSA-N
• XLogP: 16.56
• TPSA: 205.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2035.07
LogP ≤ 5	16.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3H-pyrazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3H-pyrazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione (CID 159724790) is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3H-pyrazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione.

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3H-pyrazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3H-pyrazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione is CC(C)(C)C(=O)CC(=O)C(C)(C)C.COc1ccnc(-c2[c-]cc(F)cc2F)c1.Fc1c[c-]c(-[n+]2ccc[n-]2)c(F)c1.Fc1c[c-]c(-n2cccn2)c(F)c1.Fc1c[c-]c(N2C=CC[N-]2)c(F)c1.Fc1ccc[c-]c1-c1ccccn1.O=C(O)c1ccccn1.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.[Ir].[Ir].[Ir].

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3H-pyrazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione?

The InChIKey is BLCPNXBZRDLARY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8F2NO.C11H7FN.C11H20O2.C9H6F2N2.2C9H5F2N2.C6H5NO2.3Ir/c1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;13-9-1-2-10(11(14)6-9)12-5-8(7-16)3-4-15-12;12-10-6-2-1-5-9(10)11-7-3-4-8-13-11;1-10(2,3)8(12)7-9(13)11(4,5)6;3*10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;8-6(9)5-3-1-2-4-7-5;;;/h2,4-7H,1H3;1,3-6,16H,7H2;1-4,6-8H;7H2,1-6H3;1-2,5-6H,4H2;2*1-2,4-6H;1-4H,(H,8,9);;;/q3*-1;;-2;2*-1;;;;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3H-pyrazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione?

2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3H-pyrazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione has a molecular weight of 2035.07 g/mol, XLogP of 16.56, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;1-(2,4-difluorobenzene-6-id-1-yl)-3H-pyrazol-2-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyrazol-2-ium-1-ide;[2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol;2-(2-fluorobenzene-6-id-1-yl)pyridine;tris(iridium);pyridine-2-carboxylic acid;2,2,6,6-tetramethylheptane-3,5-dione is sourced from PubChem (CID 159724790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).