2-[4,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-imidazol-3-id-4-ylpyridine;hexakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-phenylpyridine;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[4-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine

C113H75F23Ir6N21O5-11 — CID 157239353

About 2-[4,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-imidazol-3-id-4-ylpyridine;hexakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-phenylpyridine;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[4-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine

2-[4,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-imidazol-3-id-4-ylpyridine;hexakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-phenylpyridine;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[4-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine (PubChem CID 157239353) has the molecular formula C113H75F23Ir6N21O5-11 and a molecular weight of 3397.24 g/mol. Its IUPAC name is 2-[4,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-imidazol-3-id-4-ylpyridine;hexakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-phenylpyridine;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[4-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine.

Molecular Properties

• Compound Name: 2-[4,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-imidazol-3-id-4-ylpyridine;hexakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-phenylpyridine;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[4-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine
• PubChem CID: 157239353
• Molecular Formula: C113H75F23Ir6N21O5-11
• Molecular Weight: 3397.24 g/mol
• Exact Mass: 3400.37
• IUPAC Name: 2-[4,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-imidazol-3-id-4-ylpyridine;hexakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-phenylpyridine;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[4-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine
• SMILES: COc1ccnc(-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.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1c[n-]c(-c2ccccn2)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]c1C(F)(F)F.FC(F)(F)c1ncc(-c2ccccn2)[n-]1.O=C([N-]Cc1ccccn1)C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.c1ccc(-c2cnc[n-]2)nc1
• InChI: InChI=1S/4C12H8F2NO.C11H5F6N2.C11H8N.C10H6F3N2.C9H5F3N3.C8H7F3N2O.C8H7N4.C8H6N3.6Ir/c4*1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;12-10(13,14)6-5-8(7-3-1-2-4-18-7)19-9(6)11(15,16)17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;11-10(12,13)7-5-9(15-6-7)8-3-1-2-4-14-8;10-9(11,12)8-14-5-7(15-8)6-3-1-2-4-13-6;9-8(10,11)7(14)13-5-6-3-1-2-4-12-6;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-2-4-10-7(3-1)8-5-9-6-11-8;;;;;;/h4*2,4-7H,1H3;1-5H;1-6,8-9H;1-6H;1-5H;1-4H,5H2,(H,13,14);2-5H,1H3;1-6H;;;;;;/q8*-1;;2*-1;;;;;;/p-1
• InChIKey: JFYMFIROQJWRHY-UHFFFAOYSA-M
• XLogP: 26.41
• TPSA: 331.94 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3397.24
LogP ≤ 5	26.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-imidazol-3-id-4-ylpyridine;hexakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-phenylpyridine;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[4-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine?

The IUPAC name of 2-[4,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-imidazol-3-id-4-ylpyridine;hexakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-phenylpyridine;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[4-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine (CID 157239353) is 2-[4,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-imidazol-3-id-4-ylpyridine;hexakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-phenylpyridine;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[4-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine.

What is the SMILES notation for 2-[4,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-imidazol-3-id-4-ylpyridine;hexakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-phenylpyridine;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[4-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine?

The canonical SMILES for 2-[4,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-imidazol-3-id-4-ylpyridine;hexakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-phenylpyridine;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[4-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine is COc1ccnc(-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.Cc1n[n-]c(-c2ccccn2)n1.FC(F)(F)c1c[n-]c(-c2ccccn2)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]c1C(F)(F)F.FC(F)(F)c1ncc(-c2ccccn2)[n-]1.O=C([N-]Cc1ccccn1)C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.c1ccc(-c2cnc[n-]2)nc1.

What is the InChIKey of 2-[4,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-imidazol-3-id-4-ylpyridine;hexakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-phenylpyridine;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[4-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine?

The InChIKey is JFYMFIROQJWRHY-UHFFFAOYSA-M. The full InChI is InChI=1S/4C12H8F2NO.C11H5F6N2.C11H8N.C10H6F3N2.C9H5F3N3.C8H7F3N2O.C8H7N4.C8H6N3.6Ir/c4*1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;12-10(13,14)6-5-8(7-3-1-2-4-18-7)19-9(6)11(15,16)17;1-2-6-10(7-3-1)11-8-4-5-9-12-11;11-10(12,13)7-5-9(15-6-7)8-3-1-2-4-14-8;10-9(11,12)8-14-5-7(15-8)6-3-1-2-4-13-6;9-8(10,11)7(14)13-5-6-3-1-2-4-12-6;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-2-4-10-7(3-1)8-5-9-6-11-8;;;;;;/h4*2,4-7H,1H3;1-5H;1-6,8-9H;1-6H;1-5H;1-4H,5H2,(H,13,14);2-5H,1H3;1-6H;;;;;;/q8*-1;;2*-1;;;;;;/p-1.

What are the key properties of 2-[4,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-imidazol-3-id-4-ylpyridine;hexakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-phenylpyridine;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[4-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine?

2-[4,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-imidazol-3-id-4-ylpyridine;hexakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-phenylpyridine;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[4-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine has a molecular weight of 3397.24 g/mol, XLogP of 26.41, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-imidazol-3-id-4-ylpyridine;hexakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-phenylpyridine;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[4-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine is sourced from PubChem (CID 157239353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).