2,3-dichloro-6-methylpyridine

• ChemBase ID: 70349
• Molecular Formular: C6H5Cl2N
• Molecular Mass: 162.0166
• Monoisotopic Mass: 160.97990453
• SMILES: c1(c(ccc(n1)C)Cl)Cl
• Canonical SMILES: Cc1ccc(c(n1)Cl)Cl
• InChI: InChI=1S/C6H5Cl2N/c1-4-2-3-5(7)6(8)9-4/h2-3H,1H3
• InChIKey: BRJDBTSPHZWCBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloro-6-methylpyridine
• IUPAC Traditional name: 2,3-dichloro-6-methylpyridine
• Synonyms: 2,3-Dichloro-6-methylpyridine; 2,3-Dichloro-6-picoline

Database IDs

• CAS Number: 54957-86-7
• MDL Number: MFCD09839232
• PubChem SID: 162036069
• PubChem CID: 15271418

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3152075
• LogD (pH = 7.4): 2.31521
• Log P: 2.31521
• Molar Refractivity: 39.1635 cm^3
• Polarizability: 15.079532 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%