3-(diphenylphosphanyl)-2-methylimidazo[1,2-a]pyridine

• ChemBase ID: 252966
• Molecular Formular: C20H17N2P
• Molecular Mass: 316.336141
• Monoisotopic Mass: 316.11293518
• SMILES: c1(n2c(nc1C)cccc2)P(c1ccccc1)c1ccccc1
• Canonical SMILES: Cc1nc2n(c1P(c1ccccc1)c1ccccc1)cccc2
• InChI: InChI=1S/C20H17N2P/c1-16-20(22-15-9-8-14-19(22)21-16)23(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15H,1H3
• InChIKey: IDOXHSNFLBEUPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(diphenylphosphanyl)-2-methylimidazo[1,2-a]pyridine
• IUPAC Traditional name: 3-(diphenylphosphanyl)-2-methylimidazo[1,2-a]pyridine
• Synonyms: 3-(diphenylphosphino)-2-methylimidazo[1,2-a]pyridine

Database IDs

• MDL Number: MFCD00194679
• PubChem SID: 164308876
• PubChem CID: 16227538

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3683445
• LogD (pH = 7.4): 4.1796155
• Log P: 4.2136
• Molar Refractivity: 95.3461 cm^3
• Polarizability: 36.995213 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 98 - 100°C
• Hydrophobicity(logP): 5.018

Product Information

• Purity: 95%