2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;iridium(3+)

C30H18F5IrN6O2 — CID 147744734

About 2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;iridium(3+)

2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;iridium(3+) (PubChem CID 147744734) has the molecular formula C30H18F5IrN6O2 and a molecular weight of 781.72 g/mol. Its IUPAC name is 2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;iridium(3+).

Molecular Properties

• Compound Name: 2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;iridium(3+)
• PubChem CID: 147744734
• Molecular Formula: C30H18F5IrN6O2
• Molecular Weight: 781.72 g/mol
• Exact Mass: 782.10
• IUPAC Name: 2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;iridium(3+)
• SMILES: Cc1cc(-c2cccc(Oc3[c-]cc(F)cc3)n2)[n-]n1.Fc1c[c-]c(Oc2cccc(-c3cc(C(F)(F)F)[nH]n3)n2)cc1.[Ir+3]
• InChI: InChI=1S/C15H8F4N3O.C15H10FN3O.Ir/c16-9-4-6-10(7-5-9)23-14-3-1-2-11(20-14)12-8-13(22-21-12)15(17,18)19;1-10-9-14(19-18-10)13-3-2-4-15(17-13)20-12-7-5-11(16)6-8-12;/h1-6,8H,(H,21,22);2-7,9H,1H3;/q-1;-2;+3
• InChIKey: IVZFOMYIDWBMEX-UHFFFAOYSA-N
• XLogP: 7.36
• TPSA: 99.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.72
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;iridium(3+)?

The IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;iridium(3+) (CID 147744734) is 2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;iridium(3+).

What is the SMILES notation for 2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;iridium(3+)?

The canonical SMILES for 2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;iridium(3+) is Cc1cc(-c2cccc(Oc3[c-]cc(F)cc3)n2)[n-]n1.Fc1c[c-]c(Oc2cccc(-c3cc(C(F)(F)F)[nH]n3)n2)cc1.[Ir+3].

What is the InChIKey of 2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;iridium(3+)?

The InChIKey is IVZFOMYIDWBMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4N3O.C15H10FN3O.Ir/c16-9-4-6-10(7-5-9)23-14-3-1-2-11(20-14)12-8-13(22-21-12)15(17,18)19;1-10-9-14(19-18-10)13-3-2-4-15(17-13)20-12-7-5-11(16)6-8-12;/h1-6,8H,(H,21,22);2-7,9H,1H3;/q-1;-2;+3.

What are the key properties of 2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;iridium(3+)?

2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;iridium(3+) has a molecular weight of 781.72 g/mol, XLogP of 7.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorobenzene-6-id-1-yl)oxy-6-(5-methylpyrazol-2-id-3-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)oxy-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine;iridium(3+) is sourced from PubChem (CID 147744734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).