4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-1H-pyridin-2-one

C24H21BrNOP — CID 178117616

IUPAC4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-1H-pyridin-2-one
SMILESO=c1cc(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc[nH]1
InChIInChI=1S/C24H21BrNOP/c25-28(21-10-4-1-5-11-21,22-12-6-2-7-13-22,23-14-8-3-9-15-23)19-20-16-17-26-24(27)18-20/h1-18H,19H2,(H,26,27)
InChIKeyZJJFAONUXYLRCY-UHFFFAOYSA-N
MW450.32 g/mol
LogP4.71
Rot. Bonds5

About 4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-1H-pyridin-2-one

4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-1H-pyridin-2-one (PubChem CID 178117616) has the molecular formula C24H21BrNOP and a molecular weight of 450.32 g/mol. Its IUPAC name is 4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-1H-pyridin-2-one
PubChem CID178117616
Molecular FormulaC24H21BrNOP
Molecular Weight450.32 g/mol
Exact Mass449.05
IUPAC Name4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-1H-pyridin-2-one
SMILESO=c1cc(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc[nH]1
InChIInChI=1S/C24H21BrNOP/c25-28(21-10-4-1-5-11-21,22-12-6-2-7-13-22,23-14-8-3-9-15-23)19-20-16-17-26-24(27)18-20/h1-18H,19H2,(H,26,27)
InChIKeyZJJFAONUXYLRCY-UHFFFAOYSA-N
XLogP4.71
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.32
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-1H-pyridin-2-one?
The IUPAC name of 4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-1H-pyridin-2-one (CID 178117616) is 4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-1H-pyridin-2-one is O=c1cc(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc[nH]1.
What is the InChIKey of 4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-1H-pyridin-2-one?
The InChIKey is ZJJFAONUXYLRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrNOP/c25-28(21-10-4-1-5-11-21,22-12-6-2-7-13-22,23-14-8-3-9-15-23)19-20-16-17-26-24(27)18-20/h1-18H,19H2,(H,26,27).
What are the key properties of 4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-1H-pyridin-2-one?
4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-1H-pyridin-2-one has a molecular weight of 450.32 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 178117616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).