2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;pentakis(iridium);2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(2,3,4-trifluorobenzene-6-id-1-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

C101H50F32Ir5N20-10 — CID 159029431

IUPAC2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;pentakis(iridium);2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(2,3,4-trifluorobenzene-6-id-1-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
SMILESFC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1n[n-]c(-c2ccccn2)c1C(F)(F)F.Fc1[c-]c(-c2ccccn2)c(F)c(F)c1F.Fc1c(C(F)(F)F)n[n-]c1-c1ccccn1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1F.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C11H4F4N.C11H5F3N.3C11H6F2N.C10H4F6N3.C9H4F4N3.3C9H5F3N3.5Ir/c12-7-5-6(8-3-1-2-4-16-8)9(13)11(15)10(7)14;12-8-5-4-7(10(13)11(8)14)9-3-1-2-6-15-9;3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;11-9(12,13)6-7(5-3-1-2-4-17-5)18-19-8(6)10(14,15)16;10-6-7(5-3-1-2-4-14-5)15-16-8(6)9(11,12)13;3*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;;;;;/h1-4H;1-3,5-6H;3*1-4,6-7H;1-4H;1-4H;3*1-5H;;;;;/q10*-1;;;;;
InChIKeyHYIHUBUCAFEYBC-UHFFFAOYSA-N
MW3112.67 g/mol
LogP26.30
Rot. Bonds10

About 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;pentakis(iridium);2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(2,3,4-trifluorobenzene-6-id-1-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)

2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;pentakis(iridium);2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(2,3,4-trifluorobenzene-6-id-1-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (PubChem CID 159029431) has the molecular formula C101H50F32Ir5N20-10 and a molecular weight of 3112.67 g/mol. Its IUPAC name is 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;pentakis(iridium);2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(2,3,4-trifluorobenzene-6-id-1-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine).

Molecular Properties

Compound Name2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;pentakis(iridium);2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(2,3,4-trifluorobenzene-6-id-1-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
PubChem CID159029431
Molecular FormulaC101H50F32Ir5N20-10
Molecular Weight3112.67 g/mol
Exact Mass3115.22
IUPAC Name2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;pentakis(iridium);2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(2,3,4-trifluorobenzene-6-id-1-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
SMILESFC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1n[n-]c(-c2ccccn2)c1C(F)(F)F.Fc1[c-]c(-c2ccccn2)c(F)c(F)c1F.Fc1c(C(F)(F)F)n[n-]c1-c1ccccn1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1F.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C11H4F4N.C11H5F3N.3C11H6F2N.C10H4F6N3.C9H4F4N3.3C9H5F3N3.5Ir/c12-7-5-6(8-3-1-2-4-16-8)9(13)11(15)10(7)14;12-8-5-4-7(10(13)11(8)14)9-3-1-2-6-15-9;3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;11-9(12,13)6-7(5-3-1-2-4-17-5)18-19-8(6)10(14,15)16;10-6-7(5-3-1-2-4-14-5)15-16-8(6)9(11,12)13;3*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;;;;;/h1-4H;1-3,5-6H;3*1-4,6-7H;1-4H;1-4H;3*1-5H;;;;;/q10*-1;;;;;
InChIKeyHYIHUBUCAFEYBC-UHFFFAOYSA-N
XLogP26.30
TPSA263.85 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003112.67
LogP ≤ 526.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;pentakis(iridium);2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(2,3,4-trifluorobenzene-6-id-1-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) with MolForge

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Related Compounds

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CID 139060498
3,5-Dimethylpyrazol-1-ide;bis(platinum(2+));propan-2-one;bis(2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);hexafluorophosphate;hydrate
CID 139131683
3,5-Ditert-butylpyrazol-1-ide;hexane;bis(platinum(2+));2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-pyridin-2-yl-6-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;trifluoromethanesulfonate;hydrate
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3,5-Bis(trifluoromethyl)pyrazol-1-ide;platinum(2+);2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131685
Benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+))
CID 139132391
Bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)
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Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;pentakis(iridium);2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(2,3,4-trifluorobenzene-6-id-1-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The IUPAC name of 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;pentakis(iridium);2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(2,3,4-trifluorobenzene-6-id-1-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) (CID 159029431) is 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;pentakis(iridium);2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(2,3,4-trifluorobenzene-6-id-1-yl)pyridine;tris(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;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;pentakis(iridium);2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(2,3,4-trifluorobenzene-6-id-1-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The canonical SMILES for 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;pentakis(iridium);2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(2,3,4-trifluorobenzene-6-id-1-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1n[n-]c(-c2ccccn2)c1C(F)(F)F.Fc1[c-]c(-c2ccccn2)c(F)c(F)c1F.Fc1c(C(F)(F)F)n[n-]c1-c1ccccn1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1F.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;pentakis(iridium);2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(2,3,4-trifluorobenzene-6-id-1-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
The InChIKey is HYIHUBUCAFEYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F4N.C11H5F3N.3C11H6F2N.C10H4F6N3.C9H4F4N3.3C9H5F3N3.5Ir/c12-7-5-6(8-3-1-2-4-16-8)9(13)11(15)10(7)14;12-8-5-4-7(10(13)11(8)14)9-3-1-2-6-15-9;3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;11-9(12,13)6-7(5-3-1-2-4-17-5)18-19-8(6)10(14,15)16;10-6-7(5-3-1-2-4-14-5)15-16-8(6)9(11,12)13;3*10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;;;;;/h1-4H;1-3,5-6H;3*1-4,6-7H;1-4H;1-4H;3*1-5H;;;;;/q10*-1;;;;;.
What are the key properties of 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;pentakis(iridium);2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(2,3,4-trifluorobenzene-6-id-1-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)?
2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;pentakis(iridium);2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(2,3,4-trifluorobenzene-6-id-1-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) has a molecular weight of 3112.67 g/mol, XLogP of 26.30, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-[4-fluoro-5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine;pentakis(iridium);2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-(2,3,4-trifluorobenzene-6-id-1-yl)pyridine;tris(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine) is sourced from PubChem (CID 159029431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).