2,4-dichloro-3-methoxypyridine

• ChemBase ID: 310125
• Molecular Formular: C6H5Cl2NO
• Molecular Mass: 178.016
• Monoisotopic Mass: 176.97481915
• SMILES: c1(c(nccc1Cl)Cl)OC
• Canonical SMILES: COc1c(Cl)ccnc1Cl
• InChI: InChI=1S/C6H5Cl2NO/c1-10-5-4(7)2-3-9-6(5)8/h2-3H,1H3
• InChIKey: RTLLDGMXZMTOLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-3-methoxypyridine
• IUPAC Traditional name: 2,4-dichloro-3-methoxypyridine
• Synonyms: 2,4-dichloro-3-methoxypyridine

Database IDs

• CAS Number: 405143-46-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0261657
• LogD (pH = 7.4): 2.0261686
• Log P: 2.0261686
• Molar Refractivity: 41.0352 cm^3
• Polarizability: 15.892379 Å^3
• Polar Surface Area: 22.12 Å^2