2-[(4-chlorophenyl)methyl]pyridine

• ChemBase ID: 107288
• Molecular Formular: C12H10ClN
• Molecular Mass: 203.6675
• Monoisotopic Mass: 203.05017701
• SMILES: Clc1ccc(Cc2ccccn2)cc1
• Canonical SMILES: Clc1ccc(cc1)Cc1ccccn1
• InChI: InChI=1S/C12H10ClN/c13-11-6-4-10(5-7-11)9-12-3-1-2-8-14-12/h1-8H,9H2
• InChIKey: XSVWMIMFDMJQRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-chlorophenyl)methyl]pyridine
• IUPAC Traditional name: 2-[(4-chlorophenyl)methyl]pyridine
• Synonyms: 2-(p-CHLOROBENZYL)PYRIDINE; 2-(4-Chlorobenzyl)pyridine

Database IDs

• CAS Number: 4350-41-8
• MDL Number: MFCD00006353
• PubChem SID: 162093411
• PubChem CID: 78054

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2390206
• LogD (pH = 7.4): 3.3241181
• Log P: 3.325328
• Molar Refractivity: 58.0193 cm^3
• Polarizability: 22.64953 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05203234

MP Biomedicals Rare Chemical collection