bromo-[(6-methyl-2-pyridinyl)methyl]-triphenyl-λ5-phosphane

C25H23BrNP — CID 140688039

IUPACbromo-[(6-methyl-2-pyridinyl)methyl]-triphenyl-λ5-phosphane
SMILESCc1cccc(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C25H23BrNP/c1-21-12-11-13-22(27-21)20-28(26,23-14-5-2-6-15-23,24-16-7-3-8-17-24)25-18-9-4-10-19-25/h2-19H,20H2,1H3
InChIKeyQKDBRLYNFXFCSJ-UHFFFAOYSA-N
MW448.34 g/mol
LogP5.73
Rot. Bonds5

About bromo-[(6-methyl-2-pyridinyl)methyl]-triphenyl-λ5-phosphane

bromo-[(6-methyl-2-pyridinyl)methyl]-triphenyl-λ5-phosphane (PubChem CID 140688039) has the molecular formula C25H23BrNP and a molecular weight of 448.34 g/mol. Its IUPAC name is bromo-[(6-methyl-2-pyridinyl)methyl]-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namebromo-[(6-methyl-2-pyridinyl)methyl]-triphenyl-λ5-phosphane
PubChem CID140688039
Molecular FormulaC25H23BrNP
Molecular Weight448.34 g/mol
Exact Mass447.08
IUPAC Namebromo-[(6-methyl-2-pyridinyl)methyl]-triphenyl-λ5-phosphane
SMILESCc1cccc(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C25H23BrNP/c1-21-12-11-13-22(27-21)20-28(26,23-14-5-2-6-15-23,24-16-7-3-8-17-24)25-18-9-4-10-19-25/h2-19H,20H2,1H3
InChIKeyQKDBRLYNFXFCSJ-UHFFFAOYSA-N
XLogP5.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.34
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bromo-[(6-methyl-2-pyridinyl)methyl]-triphenyl-λ5-phosphane 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 bromo-[(6-methyl-2-pyridinyl)methyl]-triphenyl-λ5-phosphane?
The IUPAC name of bromo-[(6-methyl-2-pyridinyl)methyl]-triphenyl-λ5-phosphane (CID 140688039) is bromo-[(6-methyl-2-pyridinyl)methyl]-triphenyl-λ5-phosphane.
What is the SMILES notation for bromo-[(6-methyl-2-pyridinyl)methyl]-triphenyl-λ5-phosphane?
The canonical SMILES for bromo-[(6-methyl-2-pyridinyl)methyl]-triphenyl-λ5-phosphane is Cc1cccc(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of bromo-[(6-methyl-2-pyridinyl)methyl]-triphenyl-λ5-phosphane?
The InChIKey is QKDBRLYNFXFCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrNP/c1-21-12-11-13-22(27-21)20-28(26,23-14-5-2-6-15-23,24-16-7-3-8-17-24)25-18-9-4-10-19-25/h2-19H,20H2,1H3.
What are the key properties of bromo-[(6-methyl-2-pyridinyl)methyl]-triphenyl-λ5-phosphane?
bromo-[(6-methyl-2-pyridinyl)methyl]-triphenyl-λ5-phosphane has a molecular weight of 448.34 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[(6-methyl-2-pyridinyl)methyl]-triphenyl-λ5-phosphane is sourced from PubChem (CID 140688039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).