2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;methyl-(2-methylphosphanylphenyl)phosphane

C19H19FIrNP2- — CID 23531572

IUPAC2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;methyl-(2-methylphosphanylphenyl)phosphane
SMILESCPc1ccccc1PC.Fc1c[c-]c(-c2ccccn2)cc1.[Ir]
InChIInChI=1S/C11H7FN.C8H12P2.Ir/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-9-7-5-3-4-6-8(7)10-2;/h1-4,6-8H;3-6,9-10H,1-2H3;/q-1;;
InChIKeyGNRVZHYZTUDKDR-UHFFFAOYSA-N
MW534.53 g/mol
LogP4.24
Rot. Bonds3

About 2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;methyl-(2-methylphosphanylphenyl)phosphane

2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;methyl-(2-methylphosphanylphenyl)phosphane (PubChem CID 23531572) has the molecular formula C19H19FIrNP2- and a molecular weight of 534.53 g/mol. Its IUPAC name is 2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;methyl-(2-methylphosphanylphenyl)phosphane.

Molecular Properties

Compound Name2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;methyl-(2-methylphosphanylphenyl)phosphane
PubChem CID23531572
Molecular FormulaC19H19FIrNP2-
Molecular Weight534.53 g/mol
Exact Mass535.06
IUPAC Name2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;methyl-(2-methylphosphanylphenyl)phosphane
SMILESCPc1ccccc1PC.Fc1c[c-]c(-c2ccccn2)cc1.[Ir]
InChIInChI=1S/C11H7FN.C8H12P2.Ir/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-9-7-5-3-4-6-8(7)10-2;/h1-4,6-8H;3-6,9-10H,1-2H3;/q-1;;
InChIKeyGNRVZHYZTUDKDR-UHFFFAOYSA-N
XLogP4.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.53
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine);iridium(3+);2-pyridin-2-ylpyridine;hexafluorophosphate
CID 163409812
2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;iridium;2-phenylpyridine
CID 162483808
2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;quinoline-2-carboxylic acid
CID 91867153
bis(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(platinum(2+));bis(pyrido[2,3-b]indol-9-ide)
CID 176621893
2-(4-fluorobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;iridium;2-phenylpyridine
CID 168821649
2-(4-ethenylbenzene-6-id-1-yl)pyridine;iridium
CID 87688961
CID 177303050
CID 177303050
bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);ethanol;2-(4-fluorobenzene-6-id-1-yl)pyridine;2-(4-fluorophenyl)pyridine;bis(iridium);methanol
CID 160983476
2-(4-ethenylbenzene-6-id-1-yl)pyridine;iridium;2-(4-methylbenzene-6-id-1-yl)pyridine
CID 59307411
bis(2-(4-phenylbenzene-6-id-1-yl)pyridine);platinum(2+)
CID 58939535
iridium;tris(2-phenylpyridine)
CID 23386734
CID 176753067
CID 176753067

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;methyl-(2-methylphosphanylphenyl)phosphane?
The IUPAC name of 2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;methyl-(2-methylphosphanylphenyl)phosphane (CID 23531572) is 2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;methyl-(2-methylphosphanylphenyl)phosphane.
What is the SMILES notation for 2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;methyl-(2-methylphosphanylphenyl)phosphane?
The canonical SMILES for 2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;methyl-(2-methylphosphanylphenyl)phosphane is CPc1ccccc1PC.Fc1c[c-]c(-c2ccccn2)cc1.[Ir].
What is the InChIKey of 2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;methyl-(2-methylphosphanylphenyl)phosphane?
The InChIKey is GNRVZHYZTUDKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN.C8H12P2.Ir/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-9-7-5-3-4-6-8(7)10-2;/h1-4,6-8H;3-6,9-10H,1-2H3;/q-1;;.
What are the key properties of 2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;methyl-(2-methylphosphanylphenyl)phosphane?
2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;methyl-(2-methylphosphanylphenyl)phosphane has a molecular weight of 534.53 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;methyl-(2-methylphosphanylphenyl)phosphane is sourced from PubChem (CID 23531572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).