2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3,4-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(3,4-difluoropyrrol-1-id-2-yl)pyridine;pentakis(iridium);pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C110H74F30Ir5N20O3-10 — CID 158141169

About 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3,4-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(3,4-difluoropyrrol-1-id-2-yl)pyridine;pentakis(iridium);pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3,4-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(3,4-difluoropyrrol-1-id-2-yl)pyridine;pentakis(iridium);pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 158141169) has the molecular formula C110H74F30Ir5N20O3-10 and a molecular weight of 3254.96 g/mol. Its IUPAC name is 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3,4-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(3,4-difluoropyrrol-1-id-2-yl)pyridine;pentakis(iridium);pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3,4-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(3,4-difluoropyrrol-1-id-2-yl)pyridine;pentakis(iridium);pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 158141169
• Molecular Formula: C110H74F30Ir5N20O3-10
• Molecular Weight: 3254.96 g/mol
• Exact Mass: 3257.40
• IUPAC Name: 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3,4-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(3,4-difluoropyrrol-1-id-2-yl)pyridine;pentakis(iridium);pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.FC(F)(F)c1c[n-]c(-c2ccccn2)c1C(F)(F)F.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1n[n-]c(-c2ccccn2)c1C(F)(F)F.Fc1c[n-]c(-c2ccccn2)c1F.O=C([N-]Cc1ccccn1)C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/3C13H11F2N2.2C12H8F2NO.C11H5F6N2.C10H4F6N3.C9H5F3N3.C9H5F2N2.C8H7F3N2O.5Ir/c3*1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;2*1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;12-10(13,14)6-5-19-9(8(6)11(15,16)17)7-3-1-2-4-18-7;11-9(12,13)6-7(5-3-1-2-4-17-5)18-19-8(6)10(14,15)16;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;10-6-5-13-9(8(6)11)7-3-1-2-4-12-7;9-8(10,11)7(14)13-5-6-3-1-2-4-12-6;;;;;/h3*3,5-8H,1-2H3;2*2,4-7H,1H3;1-5H;1-4H;1-5H;1-5H;1-4H,5H2,(H,13,14);;;;;/q9*-1;;;;;;/p-1
• InChIKey: DDARIEIWZCOBNO-UHFFFAOYSA-M
• XLogP: 27.37
• TPSA: 270.43 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3254.96
LogP ≤ 5	27.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3,4-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(3,4-difluoropyrrol-1-id-2-yl)pyridine;pentakis(iridium);pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The IUPAC name of 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3,4-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(3,4-difluoropyrrol-1-id-2-yl)pyridine;pentakis(iridium);pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 158141169) is 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3,4-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(3,4-difluoropyrrol-1-id-2-yl)pyridine;pentakis(iridium);pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

What is the SMILES notation for 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3,4-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(3,4-difluoropyrrol-1-id-2-yl)pyridine;pentakis(iridium);pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The canonical SMILES for 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3,4-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(3,4-difluoropyrrol-1-id-2-yl)pyridine;pentakis(iridium);pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.CN(C)c1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.COc1ccnc(-c2[c-]cc(F)cc2F)c1.FC(F)(F)c1c[n-]c(-c2ccccn2)c1C(F)(F)F.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1n[n-]c(-c2ccccn2)c1C(F)(F)F.Fc1c[n-]c(-c2ccccn2)c1F.O=C([N-]Cc1ccccn1)C(F)(F)F.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3,4-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(3,4-difluoropyrrol-1-id-2-yl)pyridine;pentakis(iridium);pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The InChIKey is DDARIEIWZCOBNO-UHFFFAOYSA-M. The full InChI is InChI=1S/3C13H11F2N2.2C12H8F2NO.C11H5F6N2.C10H4F6N3.C9H5F3N3.C9H5F2N2.C8H7F3N2O.5Ir/c3*1-17(2)10-5-6-16-13(8-10)11-4-3-9(14)7-12(11)15;2*1-16-9-4-5-15-12(7-9)10-3-2-8(13)6-11(10)14;12-10(13,14)6-5-19-9(8(6)11(15,16)17)7-3-1-2-4-18-7;11-9(12,13)6-7(5-3-1-2-4-17-5)18-19-8(6)10(14,15)16;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;10-6-5-13-9(8(6)11)7-3-1-2-4-12-7;9-8(10,11)7(14)13-5-6-3-1-2-4-12-6;;;;;/h3*3,5-8H,1-2H3;2*2,4-7H,1H3;1-5H;1-4H;1-5H;1-5H;1-4H,5H2,(H,13,14);;;;;/q9*-1;;;;;;/p-1.

What are the key properties of 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3,4-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(3,4-difluoropyrrol-1-id-2-yl)pyridine;pentakis(iridium);pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3,4-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(3,4-difluoropyrrol-1-id-2-yl)pyridine;pentakis(iridium);pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 3254.96 g/mol, XLogP of 27.37, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3,4-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);bis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(3,4-difluoropyrrol-1-id-2-yl)pyridine;pentakis(iridium);pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 158141169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).