2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;heptakis(iridium)

C110H80F12Ir7N10O4-8 — CID 160973323

About 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;heptakis(iridium)

2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;heptakis(iridium) (PubChem CID 160973323) has the molecular formula C110H80F12Ir7N10O4-8 and a molecular weight of 3179.41 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;heptakis(iridium).

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;heptakis(iridium)
• PubChem CID: 160973323
• Molecular Formula: C110H80F12Ir7N10O4-8
• Molecular Weight: 3179.41 g/mol
• Exact Mass: 3183.36
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;heptakis(iridium)
• SMILES: CC(=O)C=C(C)O.CN(C)c1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Fc1c[c-]c(-c2cc(N(c3ccccc3)c3ccccc3)ccn2)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C23H16FN2.C13H12FN2.C12H8F2NO.C12H8F2N.C12H9FNO.2C11H6F2N.C11H7FN.C5H8O2.7Ir/c24-19-13-11-18(12-14-19)23-17-22(15-16-25-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21;1-16(2)12-7-8-15-13(9-12)10-3-5-11(14)6-4-10;1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;1-15-11-6-7-14-12(8-11)9-2-4-10(13)5-3-9;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-4(6)3-5(2)7;;;;;;;/h1-11,13-17H;3,5-9H,1-2H3;2,4-7H,1H3;2,4-7H,1H3;2,4-8H,1H3;2*1-4,6-7H;1-4,6-8H;3,6H,1-2H3;;;;;;;/q8*-1
• InChIKey: VYGJYUXASNRUFQ-UHFFFAOYSA-N
• XLogP: 26.94
• TPSA: 165.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3179.41
LogP ≤ 5	26.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;heptakis(iridium)?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;heptakis(iridium) (CID 160973323) is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;heptakis(iridium).

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;heptakis(iridium)?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;heptakis(iridium) is CC(=O)C=C(C)O.CN(C)c1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Fc1c[c-]c(-c2cc(N(c3ccccc3)c3ccccc3)ccn2)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;heptakis(iridium)?

The InChIKey is VYGJYUXASNRUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN2.C13H12FN2.C12H8F2NO.C12H8F2N.C12H9FNO.2C11H6F2N.C11H7FN.C5H8O2.7Ir/c24-19-13-11-18(12-14-19)23-17-22(15-16-25-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21;1-16(2)12-7-8-15-13(9-12)10-3-5-11(14)6-4-10;1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;1-8-4-5-15-12(6-8)10-3-2-9(13)7-11(10)14;1-15-11-6-7-14-12(8-11)9-2-4-10(13)5-3-9;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-4(6)3-5(2)7;;;;;;;/h1-11,13-17H;3,5-9H,1-2H3;2,4-7H,1H3;2,4-7H,1H3;2,4-8H,1H3;2*1-4,6-7H;1-4,6-8H;3,6H,1-2H3;;;;;;;/q8*-1;;;;;;;;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;heptakis(iridium)?

2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;heptakis(iridium) has a molecular weight of 3179.41 g/mol, XLogP of 26.94, 15 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;heptakis(iridium) is sourced from PubChem (CID 160973323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).