2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;pentakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)

C104H66F20Ir5N26O3-10 — CID 161333861

About 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;pentakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)

2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;pentakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine) (PubChem CID 161333861) has the molecular formula C104H66F20Ir5N26O3-10 and a molecular weight of 3068.90 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;pentakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine).

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;pentakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)
• PubChem CID: 161333861
• Molecular Formula: C104H66F20Ir5N26O3-10
• Molecular Weight: 3068.90 g/mol
• Exact Mass: 3071.37
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;pentakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)
• SMILES: CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1nnc(-c2ccccn2)[n-]1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc(-c2n[n-]c(-c3ccccn3)n2)cc1
• InChI: InChI=1S/C13H11F2N2.C13H9N4.3C12H8F2NO.C11H6F2N.3C8H4F3N4.C7H4FN4.5Ir/c1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;1-2-6-10(7-3-1)12-15-13(17-16-12)11-8-4-5-9-14-11;3*1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;8-7-10-6(11-12-7)5-3-1-2-4-9-5;;;;;/h3,5-8H,1-2H3;1-9H;3*2,4-7H,1H3;1-4,6-7H;3*1-4H;1-4H;;;;;/q10*-1
• InChIKey: FXDSTGHZTKNAEH-UHFFFAOYSA-N
• XLogP: 21.56
• TPSA: 359.23 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3068.90
LogP ≤ 5	21.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

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)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;pentakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;pentakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine) (CID 161333861) is 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;pentakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine).

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;pentakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;pentakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine) is CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1nnc(-c2ccccn2)[n-]1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc(-c2n[n-]c(-c3ccccn3)n2)cc1.

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;pentakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)?

The InChIKey is FXDSTGHZTKNAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N2.C13H9N4.3C12H8F2NO.C11H6F2N.3C8H4F3N4.C7H4FN4.5Ir/c1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;1-2-6-10(7-3-1)12-15-13(17-16-12)11-8-4-5-9-14-11;3*1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;8-7-10-6(11-12-7)5-3-1-2-4-9-5;;;;;/h3,5-8H,1-2H3;1-9H;3*2,4-7H,1H3;1-4,6-7H;3*1-4H;1-4H;;;;;/q10*-1;;;;;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;pentakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine)?

2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;pentakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine) has a molecular weight of 3068.90 g/mol, XLogP of 21.56, 15 rotatable bonds, 0 hydrogen bond donors, and 24 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;tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(5-fluoro-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;pentakis(iridium);2-(5-phenyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]pyridine;bis(2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine) is sourced from PubChem (CID 161333861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).