2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(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);4-methoxy-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-(5-methyl-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

C97H62F17Ir5N25O2-10 — CID 157252383

About 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(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);4-methoxy-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-(5-methyl-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

2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(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);4-methoxy-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-(5-methyl-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 (PubChem CID 157252383) has the molecular formula C97H62F17Ir5N25O2-10 and a molecular weight of 2893.79 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;tris(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);4-methoxy-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-(5-methyl-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.

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(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);4-methoxy-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-(5-methyl-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
• PubChem CID: 157252383
• Molecular Formula: C97H62F17Ir5N25O2-10
• Molecular Weight: 2893.79 g/mol
• Exact Mass: 2896.34
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(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);4-methoxy-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-(5-methyl-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
• SMILES: COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2nc(C(F)(F)F)n[n-]2)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1n[n-]c(-c2ccccn2)n1.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1nnc(-c2ccccn2)[n-]1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C12H8F2NO.C12H8F2N.3C11H6F2N.C9H6F3N4O.C8H4F3N4.2C8H7N4.C7H4FN4.5Ir/c1-16-9-4-5-15-12(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;3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-17-5-2-3-13-6(4-5)7-14-8(16-15-7)9(10,11)12;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;2*1-6-10-8(12-11-6)7-4-2-3-5-9-7;8-7-10-6(11-12-7)5-3-1-2-4-9-5;;;;;/h2,4-7H,1H3;2,4-7H,1H3;3*1-4,6-7H;2-4H,1H3;1-4H;2*2-5H,1H3;1-4H;;;;;/q10*-1
• InChIKey: GFVIUAJMABABLS-UHFFFAOYSA-N
• XLogP: 19.72
• TPSA: 346.76 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2893.79
LogP ≤ 5	19.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

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-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(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);4-methoxy-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-(5-methyl-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?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(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);4-methoxy-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-(5-methyl-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 (CID 157252383) is 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(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);4-methoxy-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-(5-methyl-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.

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;tris(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);4-methoxy-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-(5-methyl-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?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(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);4-methoxy-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-(5-methyl-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 is COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2nc(C(F)(F)F)n[n-]2)c1.Cc1ccnc(-c2[c-]cc(F)cc2F)c1.Cc1n[n-]c(-c2ccccn2)n1.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1nnc(-c2ccccn2)[n-]1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1n[n-]c(-c2ccccn2)n1.[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;tris(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);4-methoxy-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-(5-methyl-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?

The InChIKey is GFVIUAJMABABLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2NO.C12H8F2N.3C11H6F2N.C9H6F3N4O.C8H4F3N4.2C8H7N4.C7H4FN4.5Ir/c1-16-9-4-5-15-12(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;3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-17-5-2-3-13-6(4-5)7-14-8(16-15-7)9(10,11)12;9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;2*1-6-10-8(12-11-6)7-4-2-3-5-9-7;8-7-10-6(11-12-7)5-3-1-2-4-9-5;;;;;/h2,4-7H,1H3;2,4-7H,1H3;3*1-4,6-7H;2-4H,1H3;1-4H;2*2-5H,1H3;1-4H;;;;;/q10*-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;tris(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);4-methoxy-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-(5-methyl-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?

2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;tris(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);4-methoxy-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-(5-methyl-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 has a molecular weight of 2893.79 g/mol, XLogP of 19.72, 12 rotatable bonds, 0 hydrogen bond donors, and 22 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;tris(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);4-methoxy-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;bis(2-(5-methyl-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 is sourced from PubChem (CID 157252383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).