2-(4-fluoro-2-methoxybenzene-6-id-1-yl)pyridine;iridium;2-(1H-pyrazol-5-yl)pyridine;pyridine-2-carboxylic acid;2-(2H-triazol-4-yl)pyridine;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine

C50H38F7IrN16O3- — CID 158095344

About 2-(4-fluoro-2-methoxybenzene-6-id-1-yl)pyridine;iridium;2-(1H-pyrazol-5-yl)pyridine;pyridine-2-carboxylic acid;2-(2H-triazol-4-yl)pyridine;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine

2-(4-fluoro-2-methoxybenzene-6-id-1-yl)pyridine;iridium;2-(1H-pyrazol-5-yl)pyridine;pyridine-2-carboxylic acid;2-(2H-triazol-4-yl)pyridine;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine (PubChem CID 158095344) has the molecular formula C50H38F7IrN16O3- and a molecular weight of 1236.17 g/mol. Its IUPAC name is 2-(4-fluoro-2-methoxybenzene-6-id-1-yl)pyridine;iridium;2-(1H-pyrazol-5-yl)pyridine;pyridine-2-carboxylic acid;2-(2H-triazol-4-yl)pyridine;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

• Compound Name: 2-(4-fluoro-2-methoxybenzene-6-id-1-yl)pyridine;iridium;2-(1H-pyrazol-5-yl)pyridine;pyridine-2-carboxylic acid;2-(2H-triazol-4-yl)pyridine;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
• PubChem CID: 158095344
• Molecular Formula: C50H38F7IrN16O3-
• Molecular Weight: 1236.17 g/mol
• Exact Mass: 1236.28
• IUPAC Name: 2-(4-fluoro-2-methoxybenzene-6-id-1-yl)pyridine;iridium;2-(1H-pyrazol-5-yl)pyridine;pyridine-2-carboxylic acid;2-(2H-triazol-4-yl)pyridine;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
• SMILES: COc1cc(F)c[c-]c1-c1ccccn1.FC(F)(F)c1cc(-c2ccccn2)n[nH]1.FC(F)(F)c1nc(-c2ccccn2)n[nH]1.O=C(O)c1ccccn1.[Ir].c1ccc(-c2ccn[nH]2)nc1.c1ccc(-c2cn[nH]n2)nc1
• InChI: InChI=1S/C12H9FNO.C9H6F3N3.C8H5F3N4.C8H7N3.C7H6N4.C6H5NO2.Ir/c1-15-12-8-9(13)5-6-10(12)11-4-2-3-7-14-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-2-5-9-7(3-1)8-4-6-10-11-8;1-2-4-8-6(3-1)7-5-9-11-10-7;8-6(9)5-3-1-2-4-7-5;/h2-5,7-8H,1H3;1-5H,(H,14,15);1-4H,(H,13,14,15);1-6H,(H,10,11);1-5H,(H,9,10,11);1-4H,(H,8,9);/q-1
• InChIKey: QUNDUNNPDPPWJW-UHFFFAOYSA-N
• XLogP: 10.19
• TPSA: 264.37 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1236.17
LogP ≤ 5	10.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methoxybenzene-6-id-1-yl)pyridine;iridium;2-(1H-pyrazol-5-yl)pyridine;pyridine-2-carboxylic acid;2-(2H-triazol-4-yl)pyridine;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?

The IUPAC name of 2-(4-fluoro-2-methoxybenzene-6-id-1-yl)pyridine;iridium;2-(1H-pyrazol-5-yl)pyridine;pyridine-2-carboxylic acid;2-(2H-triazol-4-yl)pyridine;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine (CID 158095344) is 2-(4-fluoro-2-methoxybenzene-6-id-1-yl)pyridine;iridium;2-(1H-pyrazol-5-yl)pyridine;pyridine-2-carboxylic acid;2-(2H-triazol-4-yl)pyridine;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine.

What is the SMILES notation for 2-(4-fluoro-2-methoxybenzene-6-id-1-yl)pyridine;iridium;2-(1H-pyrazol-5-yl)pyridine;pyridine-2-carboxylic acid;2-(2H-triazol-4-yl)pyridine;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?

The canonical SMILES for 2-(4-fluoro-2-methoxybenzene-6-id-1-yl)pyridine;iridium;2-(1H-pyrazol-5-yl)pyridine;pyridine-2-carboxylic acid;2-(2H-triazol-4-yl)pyridine;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine is COc1cc(F)c[c-]c1-c1ccccn1.FC(F)(F)c1cc(-c2ccccn2)n[nH]1.FC(F)(F)c1nc(-c2ccccn2)n[nH]1.O=C(O)c1ccccn1.[Ir].c1ccc(-c2ccn[nH]2)nc1.c1ccc(-c2cn[nH]n2)nc1.

What is the InChIKey of 2-(4-fluoro-2-methoxybenzene-6-id-1-yl)pyridine;iridium;2-(1H-pyrazol-5-yl)pyridine;pyridine-2-carboxylic acid;2-(2H-triazol-4-yl)pyridine;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?

The InChIKey is QUNDUNNPDPPWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FNO.C9H6F3N3.C8H5F3N4.C8H7N3.C7H6N4.C6H5NO2.Ir/c1-15-12-8-9(13)5-6-10(12)11-4-2-3-7-14-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;1-2-5-9-7(3-1)8-4-6-10-11-8;1-2-4-8-6(3-1)7-5-9-11-10-7;8-6(9)5-3-1-2-4-7-5;/h2-5,7-8H,1H3;1-5H,(H,14,15);1-4H,(H,13,14,15);1-6H,(H,10,11);1-5H,(H,9,10,11);1-4H,(H,8,9);/q-1;;;;;;.

What are the key properties of 2-(4-fluoro-2-methoxybenzene-6-id-1-yl)pyridine;iridium;2-(1H-pyrazol-5-yl)pyridine;pyridine-2-carboxylic acid;2-(2H-triazol-4-yl)pyridine;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?

2-(4-fluoro-2-methoxybenzene-6-id-1-yl)pyridine;iridium;2-(1H-pyrazol-5-yl)pyridine;pyridine-2-carboxylic acid;2-(2H-triazol-4-yl)pyridine;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine has a molecular weight of 1236.17 g/mol, XLogP of 10.19, 7 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluoro-2-methoxybenzene-6-id-1-yl)pyridine;iridium;2-(1H-pyrazol-5-yl)pyridine;pyridine-2-carboxylic acid;2-(2H-triazol-4-yl)pyridine;2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 158095344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).