2,4-dichloro-3-(chloromethyl)-6-methylpyridine

• ChemBase ID: 253219
• Molecular Formular: C7H6Cl3N
• Molecular Mass: 210.48824
• Monoisotopic Mass: 208.95658224
• SMILES: c1(c(c(cc(n1)C)Cl)CCl)Cl
• Canonical SMILES: ClCc1c(Cl)cc(nc1Cl)C
• InChI: InChI=1S/C7H6Cl3N/c1-4-2-6(9)5(3-8)7(10)11-4/h2H,3H2,1H3
• InChIKey: OHLZJPIKLHYHQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-3-(chloromethyl)-6-methylpyridine
• IUPAC Traditional name: 2,4-dichloro-3-(chloromethyl)-6-methylpyridine
• Synonyms: 2,4-dichloro-3-(chloromethyl)-6-methylpyridine

Database IDs

• MDL Number: MFCD08729264
• PubChem SID: 164309129
• PubChem CID: 16227701

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9024456
• LogD (pH = 7.4): 2.902452
• Log P: 2.9024522
• Molar Refractivity: 49.0304 cm^3
• Polarizability: 18.774237 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45 - 47°C
• Hydrophobicity(logP): 3.245

Product Information

• Purity: 95%