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

C108H68F28Ir5N20O4-10 — CID 161072972

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

2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methoxypyridine;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (PubChem CID 161072972) has the molecular formula C108H68F28Ir5N20O4-10 and a molecular weight of 3202.90 g/mol. Its IUPAC name is 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methoxypyridine;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(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;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
• PubChem CID: 161072972
• Molecular Formula: C108H68F28Ir5N20O4-10
• Molecular Weight: 3202.90 g/mol
• Exact Mass: 3205.35
• IUPAC Name: 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methoxypyridine;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
• SMILES: 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.Cc1cc(-c2ccccn2)[n-]n1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1n[n-]c(-c2ccccn2)c1C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/3C12H8F2NO.2C12H8F2N.C11H6F6N3O.C10H4F6N3.2C9H5F3N3.C9H8N3.5Ir/c3*1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;2*1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;1-21-5-2-3-18-6(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;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;;;;;/h3*2,4-7H,1H3;2*2,4-7H,1H3;2-4H,1H3;1-4H;2*1-5H;2-6H,1H3;;;;;/q10*-1
• InChIKey: JKUHHQCLIOORDU-UHFFFAOYSA-N
• XLogP: 26.70
• TPSA: 300.77 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3202.90
LogP ≤ 5	26.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

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;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(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;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (CID 161072972) is 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methoxypyridine;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(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;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(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;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is 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.Cc1cc(-c2ccccn2)[n-]n1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1n[n-]c(-c2ccccn2)c1C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[Ir].

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

The InChIKey is JKUHHQCLIOORDU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H8F2NO.2C12H8F2N.C11H6F6N3O.C10H4F6N3.2C9H5F3N3.C9H8N3.5Ir/c3*1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;2*1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;1-21-5-2-3-18-6(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;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;;;;;/h3*2,4-7H,1H3;2*2,4-7H,1H3;2-4H,1H3;1-4H;2*1-5H;2-6H,1H3;;;;;/q10*-1;;;;;.

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

2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methoxypyridine;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) has a molecular weight of 3202.90 g/mol, XLogP of 26.70, 14 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]-4-methoxypyridine;2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);pentakis(iridium);2-(5-methylpyrazol-2-id-3-yl)pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is sourced from PubChem (CID 161072972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).