2-(chloromethyl)-4-phenylpyridine

• ChemBase ID: 802156
• Molecular Formular: C12H10ClN
• Molecular Mass: 203.6675
• Monoisotopic Mass: 203.05017701
• SMILES: n1c(cc(cc1)c1ccccc1)CCl
• Canonical SMILES: ClCc1nccc(c1)c1ccccc1
• InChI: InChI=1S/C12H10ClN/c13-9-12-8-11(6-7-14-12)10-4-2-1-3-5-10/h1-8H,9H2
• InChIKey: JXQZTESQGQBTIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-4-phenylpyridine
• IUPAC Traditional name: 2-(chloromethyl)-4-phenylpyridine
• Synonyms: 2-(CHLOROMETHYL)-4-PHENYLPYRIDINE

Database IDs

• CAS Number: 147937-34-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0544667
• LogD (pH = 7.4): 3.0712936
• Log P: 3.0715127
• Molar Refractivity: 58.382 cm^3
• Polarizability: 24.075623 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%