2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

C101H66F27Ir5N17O7S-10 — CID 157476547

About 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (PubChem CID 157476547) has the molecular formula C101H66F27Ir5N17O7S-10 and a molecular weight of 3135.85 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide;bis(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-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
• PubChem CID: 157476547
• Molecular Formula: C101H66F27Ir5N17O7S-10
• Molecular Weight: 3135.85 g/mol
• Exact Mass: 3138.28
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide;bis(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.Cc1ccnc(-c2[c-]c(F)c(F)c(F)c2F)c1.Cc1ccnc(-c2[c-]c(F)c(F)c(F)c2F)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.O=C([N-]Cc1ccccn1)C(F)(F)F.O=C([N-]Cc1ccccn1)C(F)(F)F.O=S(=O)([N-]Cc1ccccn1)C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C12H6F4N.C12H8F2NO.2C12H9FNO.2C9H5F3N3.2C8H7F3N2O.C7H6F3N2O2S.5Ir/c2*1-6-2-3-17-9(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*1-15-11-6-7-14-12(8-11)9-2-4-10(13)5-3-9;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*9-8(10,11)7(14)13-5-6-3-1-2-4-12-6;8-7(9,10)15(13,14)12-5-6-3-1-2-4-11-6;;;;;/h2*2-4H,1H3;2,4-7H,1H3;2*2,4-8H,1H3;2*1-5H;2*1-4H,5H2,(H,13,14);1-4H,5H2;;;;;/q7*-1;;;-1;;;;;/p-2
• InChIKey: CUXOSWLYQDWJGK-UHFFFAOYSA-L
• XLogP: 25.18
• TPSA: 321.15 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3135.85
LogP ≤ 5	25.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

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-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide;bis(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-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (CID 157476547) is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide;bis(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-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide;bis(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-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide;bis(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.Cc1ccnc(-c2[c-]c(F)c(F)c(F)c2F)c1.Cc1ccnc(-c2[c-]c(F)c(F)c(F)c2F)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.O=C([N-]Cc1ccccn1)C(F)(F)F.O=C([N-]Cc1ccccn1)C(F)(F)F.O=S(=O)([N-]Cc1ccccn1)C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?

The InChIKey is CUXOSWLYQDWJGK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H6F4N.C12H8F2NO.2C12H9FNO.2C9H5F3N3.2C8H7F3N2O.C7H6F3N2O2S.5Ir/c2*1-6-2-3-17-9(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*1-15-11-6-7-14-12(8-11)9-2-4-10(13)5-3-9;2*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*9-8(10,11)7(14)13-5-6-3-1-2-4-12-6;8-7(9,10)15(13,14)12-5-6-3-1-2-4-11-6;;;;;/h2*2-4H,1H3;2,4-7H,1H3;2*2,4-8H,1H3;2*1-5H;2*1-4H,5H2,(H,13,14);1-4H,5H2;;;;;/q7*-1;;;-1;;;;;/p-2.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?

2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) has a molecular weight of 3135.85 g/mol, XLogP of 25.18, 17 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);pentakis(iridium);bis(4-methyl-2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine);bis(pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide);pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is sourced from PubChem (CID 157476547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).