2,6-dichloro-4-methylpyridine

• ChemBase ID: 64759
• Molecular Formular: C6H5Cl2N
• Molecular Mass: 162.0166
• Monoisotopic Mass: 160.97990453
• SMILES: c1c(nc(cc1C)Cl)Cl
• Canonical SMILES: Cc1cc(Cl)nc(c1)Cl
• InChI: InChI=1S/C6H5Cl2N/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H3
• InChIKey: GTHRJKYVJZJPCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-4-methylpyridine
• IUPAC Traditional name: 2,6-dichloro-4-methylpyridine
• Synonyms: 2,6-Dichloro-4-picoline; 2,6-Dichloro-4-methylpyridine; 2,6-Dichloro-4-picoline

Database IDs

• CAS Number: 39621-00-6
• MDL Number: MFCD09264302
• PubChem SID: 162030498
• PubChem CID: 10898997

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9174385
• LogD (pH = 7.4): 2.9174385
• Log P: 2.9174385
• Molar Refractivity: 40.6745 cm^3
• Polarizability: 15.1019745 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 98%