2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-methylpyridine);2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide);bis(2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile);bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);hexakis(iridium)

C116H66F20Ir6N20-10 — CID 158716710

About 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-methylpyridine);2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide);bis(2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile);bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);hexakis(iridium)

2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-methylpyridine);2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide);bis(2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile);bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);hexakis(iridium) (PubChem CID 158716710) has the molecular formula C116H66F20Ir6N20-10 and a molecular weight of 3273.21 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-methylpyridine);2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide);bis(2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile);bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);hexakis(iridium).

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-methylpyridine);2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide);bis(2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile);bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);hexakis(iridium)
• PubChem CID: 158716710
• Molecular Formula: C116H66F20Ir6N20-10
• Molecular Weight: 3273.21 g/mol
• Exact Mass: 3276.33
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-methylpyridine);2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide);bis(2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile);bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);hexakis(iridium)
• SMILES: CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1cccc(-c2[c-]cc(F)nc2F)n1.Cc1cccc(-c2[c-]cc(F)nc2F)n1.Cc1cccnc1-c1[c-]cc(F)nc1F.Fc1c[c-]c(-c2ccccn2)c(F)n1.Fc1c[c-]c(-c2ccccn2)c(F)n1.N#Cc1c(F)c[c-]c(-c2ccccn2)c1F.N#Cc1c(F)c[c-]c(-c2ccccn2)c1F.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C)n2)c1F.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C)n2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C13H11F2N2.2C13H7F2N2.2C12H5F2N2.3C11H7F2N2.2C10H5F2N2.6Ir/c1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;2*1-8-4-3-5-11(17-8)9-6-7-10(14)13(16-2)12(9)15;2*13-10-5-4-8(12(14)9(10)7-15)11-3-1-2-6-16-11;1-7-3-2-6-14-10(7)8-4-5-9(12)15-11(8)13;2*1-7-3-2-4-9(14-7)8-5-6-10(12)15-11(8)13;2*11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;;;;;;/h3,5-8H,1-2H3;2*3-5,7H,1H3;2*1-3,5-6H;2-3,5-6H,1H3;2*2-4,6H,1H3;2*1-3,5-6H;;;;;;/q10*-1
• InChIKey: CRUGEVHVUMPHQA-UHFFFAOYSA-N
• XLogP: 27.68
• TPSA: 252.89 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3273.21
LogP ≤ 5	27.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-methylpyridine);2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide);bis(2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile);bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);hexakis(iridium)?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-methylpyridine);2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide);bis(2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile);bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);hexakis(iridium) (CID 158716710) is 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-methylpyridine);2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide);bis(2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile);bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);hexakis(iridium).

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-methylpyridine);2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide);bis(2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile);bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);hexakis(iridium)?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-methylpyridine);2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide);bis(2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile);bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);hexakis(iridium) is CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1cccc(-c2[c-]cc(F)nc2F)n1.Cc1cccc(-c2[c-]cc(F)nc2F)n1.Cc1cccnc1-c1[c-]cc(F)nc1F.Fc1c[c-]c(-c2ccccn2)c(F)n1.Fc1c[c-]c(-c2ccccn2)c(F)n1.N#Cc1c(F)c[c-]c(-c2ccccn2)c1F.N#Cc1c(F)c[c-]c(-c2ccccn2)c1F.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C)n2)c1F.[C-]#[N+]c1c(F)c[c-]c(-c2cccc(C)n2)c1F.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-methylpyridine);2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide);bis(2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile);bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);hexakis(iridium)?

The InChIKey is CRUGEVHVUMPHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N2.2C13H7F2N2.2C12H5F2N2.3C11H7F2N2.2C10H5F2N2.6Ir/c1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;2*1-8-4-3-5-11(17-8)9-6-7-10(14)13(16-2)12(9)15;2*13-10-5-4-8(12(14)9(10)7-15)11-3-1-2-6-16-11;1-7-3-2-6-14-10(7)8-4-5-9(12)15-11(8)13;2*1-7-3-2-4-9(14-7)8-5-6-10(12)15-11(8)13;2*11-9-5-4-7(10(12)14-9)8-3-1-2-6-13-8;;;;;;/h3,5-8H,1-2H3;2*3-5,7H,1H3;2*1-3,5-6H;2-3,5-6H,1H3;2*2-4,6H,1H3;2*1-3,5-6H;;;;;;/q10*-1;;;;;;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-methylpyridine);2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide);bis(2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile);bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);hexakis(iridium)?

2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-methylpyridine);2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide);bis(2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile);bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);hexakis(iridium) has a molecular weight of 3273.21 g/mol, XLogP of 27.68, 11 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;bis(2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-methylpyridine);2,6-difluoro-3-(3-methyl-2-pyridinyl)-4H-pyridin-4-ide;bis(2,6-difluoro-3-(6-methyl-2-pyridinyl)-4H-pyridin-4-ide);bis(2,6-difluoro-3-pyridin-2-ylbenzene-4-ide-1-carbonitrile);bis(2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide);hexakis(iridium) is sourced from PubChem (CID 158716710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).