2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methylpyridine;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C₁₀₆H₆₆F₂₆Ir₅N₂₀-10 — CID 158260535

About 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methylpyridine;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methylpyridine;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 158260535) has the molecular formula C₁₀₆H₆₆F₂₆Ir₅N₂₀-10 and a molecular weight of 3074.87 g/mol. Its IUPAC name is 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methylpyridine;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methylpyridine;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 158260535
• Molecular Formula: C₁₀₆H₆₆F₂₆Ir₅N₂₀-10
• Molecular Weight: 3074.87 g/mol
• Exact Mass: 3077.36
• IUPAC Name: 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methylpyridine;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: Cc1ccnc(-c2[c-]cc(F)cc2)c1.Cc1ccnc(-c2[c-]cc(F)cc2)c1.Cc1ccnc(-c2[c-]cc(F)cc2)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1ccnc(-c2[n-]nc(C(F)(F)F)c2C(F)(F)F)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1n[n-]c(-c2ccccn2)c1C(F)(F)F.Fc1n[n-]c(-c2ccccn2)c1F.Fc1n[n-]c(-c2ccccn2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C12H8F2N.3C12H9FN.C11H6F6N3.C10H4F6N3.C9H5F3N3.2C8H4F2N3.5Ir/c2*1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;3*1-9-6-7-14-12(8-9)10-2-4-11(13)5-3-10;1-5-2-3-18-6(4-5)8-7(10(12,13)14)9(20-19-8)11(15,16)17;11-9(12,13)6-7(5-3-1-2-4-17-5)18-19-8(6)10(14,15)16;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*9-6-7(12-13-8(6)10)5-3-1-2-4-11-5;;;;;/h2*2,4-7H,1H3;3*2,4-8H,1H3;2-4H,1H3;1-4H;1-5H;2*1-4H;;;;;/q10*-1
• InChIKey: YWBZSVZCKPSFRP-UHFFFAOYSA-N
• XLogP: 26.71
• TPSA: 263.85 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3074.87
LogP ≤ 5	26.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methylpyridine;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The IUPAC name of 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methylpyridine;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 158260535) is 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methylpyridine;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

What is the SMILES notation for 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methylpyridine;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The canonical SMILES for 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methylpyridine;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is Cc1ccnc(-c2[c-]cc(F)cc2)c1.Cc1ccnc(-c2[c-]cc(F)cc2)c1.Cc1ccnc(-c2[c-]cc(F)cc2)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1ccnc(-c2[n-]nc(C(F)(F)F)c2C(F)(F)F)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1n[n-]c(-c2ccccn2)c1C(F)(F)F.Fc1n[n-]c(-c2ccccn2)c1F.Fc1n[n-]c(-c2ccccn2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methylpyridine;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The InChIKey is YWBZSVZCKPSFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8F2N.3C12H9FN.C11H6F6N3.C10H4F6N3.C9H5F3N3.2C8H4F2N3.5Ir/c2*1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;3*1-9-6-7-14-12(8-9)10-2-4-11(13)5-3-10;1-5-2-3-18-6(4-5)8-7(10(12,13)14)9(20-19-8)11(15,16)17;11-9(12,13)6-7(5-3-1-2-4-17-5)18-19-8(6)10(14,15)16;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*9-6-7(12-13-8(6)10)5-3-1-2-4-11-5;;;;;/h2*2,4-7H,1H3;3*2,4-8H,1H3;2-4H,1H3;1-4H;1-5H;2*1-4H;;;;;/q10*-1;;;;;.

What are the key properties of 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methylpyridine;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methylpyridine;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 3074.87 g/mol, XLogP of 26.71, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methylpyridine;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);tris(2-(4-fluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 158260535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158260535 — identifiers, structure, computed properties (public domain)

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