2-(chloromethyl)-6-phenylpyridine

• ChemBase ID: 802145
• Molecular Formular: C12H10ClN
• Molecular Mass: 203.6675
• Monoisotopic Mass: 203.05017701
• SMILES: n1c(cccc1c1ccccc1)CCl
• Canonical SMILES: ClCc1cccc(n1)c1ccccc1
• InChI: InChI=1S/C12H10ClN/c13-9-11-7-4-8-12(14-11)10-5-2-1-3-6-10/h1-8H,9H2
• InChIKey: NPSWBGSNFIEDJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-6-phenylpyridine
• IUPAC Traditional name: 2-(chloromethyl)-6-phenylpyridine
• Synonyms: 2-(CHLOROMETHYL)-6-PHENYLPYRIDINE

Database IDs

• CAS Number: 147937-33-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.453611
• LogD (pH = 7.4): 3.4573157
• Log P: 3.4573631
• Molar Refractivity: 58.01 cm^3
• Polarizability: 24.079733 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%