2,3-dichloro-6-methoxypyridine

• ChemBase ID: 289488
• Molecular Formular: C6H5Cl2NO
• Molecular Mass: 178.016
• Monoisotopic Mass: 176.97481915
• SMILES: COc1ccc(Cl)c(Cl)n1
• Canonical SMILES: COc1ccc(c(n1)Cl)Cl
• InChI: InChI=1S/C6H5Cl2NO/c1-10-5-3-2-4(7)6(8)9-5/h2-3H,1H3
• InChIKey: PCVPVMZNHMYIDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloro-6-methoxypyridine
• IUPAC Traditional name: 2,3-dichloro-6-methoxypyridine
• Synonyms: 2,3-Dichloro-6-methoxypyridine

Database IDs

• CAS Number: 83732-68-7
• MDL Number: MFCD08669402
• PubChem SID: 180675019
• PubChem CID: 3019245

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6206262
• LogD (pH = 7.4): 2.6206262
• Log P: 2.6206262
• Molar Refractivity: 41.3487 cm^3
• Polarizability: 15.890627 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%