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

C108H65F31Ir5N20O6-10 — CID 159517897

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

2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methoxypyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 159517897) has the molecular formula C108H65F31Ir5N20O6-10 and a molecular weight of 3288.86 g/mol. Its IUPAC name is 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methoxypyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);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-methoxypyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 159517897
• Molecular Formula: C108H65F31Ir5N20O6-10
• Molecular Weight: 3288.86 g/mol
• Exact Mass: 3291.31
• IUPAC Name: 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methoxypyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-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.FC(F)(F)c1n[n-]c(-c2ccccn2)c1C(F)(F)F.Fc1n[n-]c(-c2ccccn2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/3C12H8F2NO.2C12H9FNO.C11H6F6N3O.2C10H4F6N3.C9H5F3N3.C8H4F2N3.5Ir/c3*1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;2*1-15-11-6-7-14-12(8-11)9-2-4-10(13)5-3-9;1-21-5-2-3-18-6(4-5)8-7(10(12,13)14)9(20-19-8)11(15,16)17;2*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;9-6-7(12-13-8(6)10)5-3-1-2-4-11-5;;;;;/h3*2,4-7H,1H3;2*2,4-8H,1H3;2-4H,1H3;2*1-4H;1-5H;1-4H;;;;;/q10*-1
• InChIKey: QPHWASCTTSLORI-UHFFFAOYSA-N
• XLogP: 26.81
• TPSA: 319.23 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3288.86
LogP ≤ 5	26.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

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-methoxypyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);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-methoxypyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 159517897) is 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methoxypyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);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-methoxypyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);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-methoxypyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-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.FC(F)(F)c1n[n-]c(-c2ccccn2)c1C(F)(F)F.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-methoxypyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The InChIKey is QPHWASCTTSLORI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H8F2NO.2C12H9FNO.C11H6F6N3O.2C10H4F6N3.C9H5F3N3.C8H4F2N3.5Ir/c3*1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;2*1-15-11-6-7-14-12(8-11)9-2-4-10(13)5-3-9;1-21-5-2-3-18-6(4-5)8-7(10(12,13)14)9(20-19-8)11(15,16)17;2*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;9-6-7(12-13-8(6)10)5-3-1-2-4-11-5;;;;;/h3*2,4-7H,1H3;2*2,4-8H,1H3;2-4H,1H3;2*1-4H;1-5H;1-4H;;;;;/q10*-1;;;;;.

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

2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methoxypyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 3288.86 g/mol, XLogP of 26.81, 16 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methoxypyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 159517897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).