2-[phenyl(pyridin-2-yl)phosphanyl]pyridine

• ChemBase ID: 253736
• Molecular Formular: C16H13N2P
• Molecular Mass: 264.261581
• Monoisotopic Mass: 264.08163506
• SMILES: P(c1ncccc1)(c1ncccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)P(c1ccccn1)c1ccccn1
• InChI: InChI=1S/C16H13N2P/c1-2-8-14(9-3-1)19(15-10-4-6-12-17-15)16-11-5-7-13-18-16/h1-13H
• InChIKey: MHYHLTYYPLBVPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[phenyl(pyridin-2-yl)phosphanyl]pyridine
• IUPAC Traditional name: 2-[phenyl(pyridin-2-yl)phosphanyl]pyridine
• Synonyms: 2-[phenyl(pyridin-2-yl)phosphino]pyridine

Database IDs

• CAS Number: 68469-71-6
• MDL Number: MFCD00184484
• PubChem SID: 164309646
• PubChem CID: 603962

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8656096
• LogD (pH = 7.4): 3.8798163
• Log P: 3.88
• Molar Refractivity: 77.9361 cm^3
• Polarizability: 30.457281 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.691

Product Information

• Purity: 95%