2-[chloro(4-chlorophenyl)methyl]pyridine

• ChemBase ID: 291733
• Molecular Formular: C12H9Cl2N
• Molecular Mass: 238.11256
• Monoisotopic Mass: 237.01120465
• SMILES: Clc1ccc(C(c2ncccc2)Cl)cc1
• Canonical SMILES: Clc1ccc(cc1)C(c1ccccn1)Cl
• InChI: InChI=1S/C12H9Cl2N/c13-10-6-4-9(5-7-10)12(14)11-3-1-2-8-15-11/h1-8,12H
• InChIKey: JJOZASAAOCISAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[chloro(4-chlorophenyl)methyl]pyridine
• IUPAC Traditional name: 2-[chloro(4-chlorophenyl)methyl]pyridine
• Synonyms: 2-(Chloro(4-chlorophenyl)methyl)pyridine

Database IDs

• CAS Number: 142404-69-1
• MDL Number: MFCD08272341
• PubChem SID: 180677264
• PubChem CID: 10657539

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9587882
• LogD (pH = 7.4): 3.9646857
• Log P: 3.9647615
• Molar Refractivity: 62.4085 cm^3
• Polarizability: 24.53915 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%