2,3-dichloro-5-methoxypyridine

• ChemBase ID: 293694
• Molecular Formular: C6H5Cl2NO
• Molecular Mass: 178.016
• Monoisotopic Mass: 176.97481915
• SMILES: COc1cnc(Cl)c(Cl)c1
• Canonical SMILES: COc1cnc(c(c1)Cl)Cl
• InChI: InChI=1S/C6H5Cl2NO/c1-10-4-2-5(7)6(8)9-3-4/h2-3H,1H3
• InChIKey: JQHLCLPLUWFPFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloro-5-methoxypyridine
• IUPAC Traditional name: 2,3-dichloro-5-methoxypyridine
• Synonyms: 2,3-Dichloro-5-methoxypyridine

Database IDs

• CAS Number: 885168-12-7
• MDL Number: MFCD08277295
• PubChem SID: 180679225
• PubChem CID: 44754883

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0261686
• LogD (pH = 7.4): 2.0261686
• Log P: 2.0261686
• Molar Refractivity: 41.0352 cm^3
• Polarizability: 15.88857 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%