2-(diphenylphosphanyl)-6-methylpyridine

• ChemBase ID: 294270
• Molecular Formular: C18H16NP
• Molecular Mass: 277.300101
• Monoisotopic Mass: 277.10203615
• SMILES: Cc1cccc(P(c2ccccc2)c2ccccc2)n1
• Canonical SMILES: Cc1cccc(n1)P(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H16NP/c1-15-9-8-14-18(19-15)20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-14H,1H3
• InChIKey: XEXYRTTUCDBSPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diphenylphosphanyl)-6-methylpyridine
• IUPAC Traditional name: 2-(diphenylphosphanyl)-6-methylpyridine
• Synonyms: 2-Diphenylphosphino-6-methylpyridine

Database IDs

• CAS Number: 132682-77-0
• MDL Number: MFCD04974234
• PubChem SID: 180679801
• PubChem CID: 5242583

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.5869327
• LogD (pH = 7.4): 4.6628404
• Log P: 4.6639
• Molar Refractivity: 84.371 cm^3
• Polarizability: 33.16012 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%