4,6-dichloro-3-methoxy-2-methylpyridine

• ChemBase ID: 248665
• Molecular Formular: C7H7Cl2NO
• Molecular Mass: 192.04258
• Monoisotopic Mass: 190.99046921
• SMILES: n1c(c(c(cc1Cl)Cl)OC)C
• Canonical SMILES: COc1c(Cl)cc(nc1C)Cl
• InChI: InChI=1S/C7H7Cl2NO/c1-4-7(11-2)5(8)3-6(9)10-4/h3H,1-2H3
• InChIKey: WSWSMBKVLHIECU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichloro-3-methoxy-2-methylpyridine
• IUPAC Traditional name: 4,6-dichloro-3-methoxy-2-methylpyridine
• Synonyms: 4,6-dichloro-3-methoxy-2-methylpyridine

Database IDs

• MDL Number: MFCD11847534
• PubChem SID: 164304575
• PubChem CID: 53404081

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1575305
• LogD (pH = 7.4): 2.1575387
• Log P: 2.157539
• Molar Refractivity: 45.6267 cm^3
• Polarizability: 17.61795 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.815

Product Information

• Purity: 95%