2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-3-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-6-methylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine

C64H48F8Ir5N5O2-5 — CID 162067867

About 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-3-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-6-methylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine

2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-3-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-6-methylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine (PubChem CID 162067867) has the molecular formula C64H48F8Ir5N5O2-5 and a molecular weight of 2032.19 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-3-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-6-methylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine.

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-3-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-6-methylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine
• PubChem CID: 162067867
• Molecular Formula: C64H48F8Ir5N5O2-5
• Molecular Weight: 2032.19 g/mol
• Exact Mass: 2035.19
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-3-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-6-methylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine
• SMILES: CC(=O)C=C(C)O.Cc1ccc(-c2[c-]cc(F)cc2)nc1.Cc1cccc(-c2[c-]cc(F)cc2)n1.Cc1cccnc1-c1[c-]cc(F)cc1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Fc1[c-]c(-c2ccccn2)c(F)cc1F.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C12H8F2N.3C12H9FN.C11H5F3N.C5H8O2.5Ir/c1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10;1-9-3-2-8-14-12(9)10-4-6-11(13)7-5-10;1-9-3-2-4-12(14-9)10-5-7-11(13)8-6-10;12-8-6-10(14)9(13)5-7(8)11-3-1-2-4-15-11;1-4(6)3-5(2)7;;;;;/h2,4-7H,1H3;2-3,5-8H,1H3;2-4,6-8H,1H3;2-5,7-8H,1H3;1-4,6H;3,6H,1-2H3;;;;;/q5*-1
• InChIKey: JFPUINVJUWAWLA-UHFFFAOYSA-N
• XLogP: 16.12
• TPSA: 101.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2032.19
LogP ≤ 5	16.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-3-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-6-methylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-3-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-6-methylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine (CID 162067867) is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-3-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-6-methylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine.

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-3-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-6-methylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-3-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-6-methylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine is CC(=O)C=C(C)O.Cc1ccc(-c2[c-]cc(F)cc2)nc1.Cc1cccc(-c2[c-]cc(F)cc2)n1.Cc1cccnc1-c1[c-]cc(F)cc1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Fc1[c-]c(-c2ccccn2)c(F)cc1F.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-3-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-6-methylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine?

The InChIKey is JFPUINVJUWAWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N.3C12H9FN.C11H5F3N.C5H8O2.5Ir/c1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10;1-9-3-2-8-14-12(9)10-4-6-11(13)7-5-10;1-9-3-2-4-12(14-9)10-5-7-11(13)8-6-10;12-8-6-10(14)9(13)5-7(8)11-3-1-2-4-15-11;1-4(6)3-5(2)7;;;;;/h2,4-7H,1H3;2-3,5-8H,1H3;2-4,6-8H,1H3;2-5,7-8H,1H3;1-4,6H;3,6H,1-2H3;;;;;/q5*-1;;;;;;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-3-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-6-methylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine?

2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-3-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-6-methylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine has a molecular weight of 2032.19 g/mol, XLogP of 16.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-3-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-6-methylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine is sourced from PubChem (CID 162067867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).