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

C124H79F25Ir6N24O4-12 — CID 160986748

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

2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);hexakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (PubChem CID 160986748) has the molecular formula C124H79F25Ir6N24O4-12 and a molecular weight of 3597.41 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);hexakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);hexakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
• PubChem CID: 160986748
• Molecular Formula: C124H79F25Ir6N24O4-12
• Molecular Weight: 3597.41 g/mol
• Exact Mass: 3600.42
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);hexakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
• SMILES: COc1ccnc(-c2[c-]c(F)c(F)c(F)c2F)c1.COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2F)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)c1cc(-c2ccccn2)[n-]n1.Fc1n[n-]c(-c2ccccn2)c1F.Fc1n[n-]c(-c2ccccn2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C12H6F4NO.C12H8F2NO.2C12H8F2N.2C12H9FNO.3C9H5F3N3.C9H8N3.2C8H4F2N3.6Ir/c1-18-6-2-3-17-9(4-6)7-5-8(13)11(15)12(16)10(7)14;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;2*1-15-11-6-7-14-12(8-11)9-2-4-10(13)5-3-9;3*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;2*9-6-7(12-13-8(6)10)5-3-1-2-4-11-5;;;;;;/h2-4H,1H3;2,4-7H,1H3;2*2,4-7H,1H3;2*2,4-8H,1H3;3*1-5H;2-6H,1H3;2*1-4H;;;;;;/q12*-1
• InChIKey: FHKVWVXXIAJPNW-UHFFFAOYSA-N
• XLogP: 28.12
• TPSA: 353.54 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3597.41
LogP ≤ 5	28.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);hexakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (CID 160986748) is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);hexakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).

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

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);hexakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is COc1ccnc(-c2[c-]c(F)c(F)c(F)c2F)c1.COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2F)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)c1cc(-c2ccccn2)[n-]n1.Fc1n[n-]c(-c2ccccn2)c1F.Fc1n[n-]c(-c2ccccn2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].

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

The InChIKey is FHKVWVXXIAJPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F4NO.C12H8F2NO.2C12H8F2N.2C12H9FNO.3C9H5F3N3.C9H8N3.2C8H4F2N3.6Ir/c1-18-6-2-3-17-9(4-6)7-5-8(13)11(15)12(16)10(7)14;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;2*1-15-11-6-7-14-12(8-11)9-2-4-10(13)5-3-9;3*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;2*9-6-7(12-13-8(6)10)5-3-1-2-4-11-5;;;;;;/h2-4H,1H3;2,4-7H,1H3;2*2,4-7H,1H3;2*2,4-8H,1H3;3*1-5H;2-6H,1H3;2*1-4H;;;;;;/q12*-1;;;;;;.

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

2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);hexakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) has a molecular weight of 3597.41 g/mol, XLogP of 28.12, 16 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine);bis(2-(4,5-difluoropyrazol-2-id-3-yl)pyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);hexakis(iridium);4-methoxy-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is sourced from PubChem (CID 160986748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).