iridium;methyl-(2-methylphosphanylphenyl)phosphane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C17H17F3IrN3P2- — CID 20807391

IUPACiridium;methyl-(2-methylphosphanylphenyl)phosphane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCPc1ccccc1PC.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir]
InChIInChI=1S/C9H5F3N3.C8H12P2.Ir/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-9-7-5-3-4-6-8(7)10-2;/h1-5H;3-6,9-10H,1-2H3;/q-1;;
InChIKeyFHVLXGPQNAYTJY-UHFFFAOYSA-N
MW574.50 g/mol
LogP3.67
Rot. Bonds3

About iridium;methyl-(2-methylphosphanylphenyl)phosphane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

iridium;methyl-(2-methylphosphanylphenyl)phosphane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 20807391) has the molecular formula C17H17F3IrN3P2- and a molecular weight of 574.50 g/mol. Its IUPAC name is iridium;methyl-(2-methylphosphanylphenyl)phosphane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Nameiridium;methyl-(2-methylphosphanylphenyl)phosphane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID20807391
Molecular FormulaC17H17F3IrN3P2-
Molecular Weight574.50 g/mol
Exact Mass575.05
IUPAC Nameiridium;methyl-(2-methylphosphanylphenyl)phosphane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCPc1ccccc1PC.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir]
InChIInChI=1S/C9H5F3N3.C8H12P2.Ir/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-9-7-5-3-4-6-8(7)10-2;/h1-5H;3-6,9-10H,1-2H3;/q-1;;
InChIKeyFHVLXGPQNAYTJY-UHFFFAOYSA-N
XLogP3.67
TPSA39.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 139131682
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Bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)
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Osmium(2+);1-[2-(phospholan-1-ium-1-yl)phenyl]phospholan-1-ium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine
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1-Octyl-3-(2-pyridinyl)-5-(trifluoromethyl)-1H-pyrazole
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2-(2,4-Difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20625479
Iridium;2-(2,3,4,5-tetrafluorobenzene-6-id-1-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807142
Iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
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Iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807145
Chloroiridium(2+);methanone;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20807146
Iridium;2-[3-(2,3,4,5,6-pentafluorophenyl)pyrazol-1-id-5-yl]pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 20807149

Frequently Asked Questions

What is the IUPAC name of iridium;methyl-(2-methylphosphanylphenyl)phosphane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of iridium;methyl-(2-methylphosphanylphenyl)phosphane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 20807391) is iridium;methyl-(2-methylphosphanylphenyl)phosphane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for iridium;methyl-(2-methylphosphanylphenyl)phosphane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for iridium;methyl-(2-methylphosphanylphenyl)phosphane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CPc1ccccc1PC.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].
What is the InChIKey of iridium;methyl-(2-methylphosphanylphenyl)phosphane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is FHVLXGPQNAYTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N3.C8H12P2.Ir/c10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-9-7-5-3-4-6-8(7)10-2;/h1-5H;3-6,9-10H,1-2H3;/q-1;;.
What are the key properties of iridium;methyl-(2-methylphosphanylphenyl)phosphane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
iridium;methyl-(2-methylphosphanylphenyl)phosphane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 574.50 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;methyl-(2-methylphosphanylphenyl)phosphane;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 20807391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).