2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,5-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-[2,4-difluoro-3-(4-isocyanophenyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;pentakis(iridium)

C67H44F10Ir5N7-5 — CID 159428422

About 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,5-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-[2,4-difluoro-3-(4-isocyanophenyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;pentakis(iridium)

2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,5-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-[2,4-difluoro-3-(4-isocyanophenyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;pentakis(iridium) (PubChem CID 159428422) has the molecular formula C67H44F10Ir5N7-5 and a molecular weight of 2098.20 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,5-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-[2,4-difluoro-3-(4-isocyanophenyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;pentakis(iridium).

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,5-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-[2,4-difluoro-3-(4-isocyanophenyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;pentakis(iridium)
• PubChem CID: 159428422
• Molecular Formula: C67H44F10Ir5N7-5
• Molecular Weight: 2098.20 g/mol
• Exact Mass: 2101.17
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,5-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-[2,4-difluoro-3-(4-isocyanophenyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;pentakis(iridium)
• SMILES: Cc1cccc(-c2[c-]c(F)ccc2F)n1.Cc1cccc(-c2[c-]cc(F)cc2F)n1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[C-]#[N+]c1ccc(-c2c(F)c[c-]c(-c3cc(CNC)ccn3)c2F)cc1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C20H14F2N3.3C12H8F2N.C11H6F2N.5Ir/c1-23-12-13-9-10-25-18(11-13)16-7-8-17(21)19(20(16)22)14-3-5-15(24-2)6-4-14;1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;1-8-3-2-4-12(15-8)10-7-9(13)5-6-11(10)14;1-8-3-2-4-12(15-8)10-6-5-9(13)7-11(10)14;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;;;/h3-6,8-11,23H,12H2,1H3;2,4-7H,1H3;2-6H,1H3;2-5,7H,1H3;1-4,6-7H;;;;;/q5*-1
• InChIKey: UQGYPBOGWIPSNN-UHFFFAOYSA-N
• XLogP: 16.98
• TPSA: 80.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2098.20
LogP ≤ 5	16.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,5-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-[2,4-difluoro-3-(4-isocyanophenyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;pentakis(iridium)?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,5-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-[2,4-difluoro-3-(4-isocyanophenyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;pentakis(iridium) (CID 159428422) is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,5-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-[2,4-difluoro-3-(4-isocyanophenyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;pentakis(iridium).

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,5-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-[2,4-difluoro-3-(4-isocyanophenyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;pentakis(iridium)?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,5-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-[2,4-difluoro-3-(4-isocyanophenyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;pentakis(iridium) is Cc1cccc(-c2[c-]c(F)ccc2F)n1.Cc1cccc(-c2[c-]cc(F)cc2F)n1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[C-]#[N+]c1ccc(-c2c(F)c[c-]c(-c3cc(CNC)ccn3)c2F)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,5-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-[2,4-difluoro-3-(4-isocyanophenyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;pentakis(iridium)?

The InChIKey is UQGYPBOGWIPSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N3.3C12H8F2N.C11H6F2N.5Ir/c1-23-12-13-9-10-25-18(11-13)16-7-8-17(21)19(20(16)22)14-3-5-15(24-2)6-4-14;1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;1-8-3-2-4-12(15-8)10-7-9(13)5-6-11(10)14;1-8-3-2-4-12(15-8)10-6-5-9(13)7-11(10)14;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;;;/h3-6,8-11,23H,12H2,1H3;2,4-7H,1H3;2-6H,1H3;2-5,7H,1H3;1-4,6-7H;;;;;/q5*-1;;;;;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,5-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-[2,4-difluoro-3-(4-isocyanophenyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;pentakis(iridium)?

2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,5-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-[2,4-difluoro-3-(4-isocyanophenyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;pentakis(iridium) has a molecular weight of 2098.20 g/mol, XLogP of 16.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,5-difluorobenzene-6-id-1-yl)-6-methylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;1-[2-[2,4-difluoro-3-(4-isocyanophenyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;pentakis(iridium) is sourced from PubChem (CID 159428422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).