2-chloro-4,6-dimethoxypyridine

• ChemBase ID: 289841
• Molecular Formular: C7H8ClNO2
• Molecular Mass: 173.59692
• Monoisotopic Mass: 173.02435618
• SMILES: COc1cc(OC)cc(Cl)n1
• Canonical SMILES: COc1cc(OC)nc(c1)Cl
• InChI: InChI=1S/C7H8ClNO2/c1-10-5-3-6(8)9-7(4-5)11-2/h3-4H,1-2H3
• InChIKey: LEDKCAQIDLSIDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4,6-dimethoxypyridine
• IUPAC Traditional name: 2-chloro-4,6-dimethoxypyridine
• Synonyms: 2-Chloro-4,6-dimethoxypyridine

Database IDs

• CAS Number: 108279-89-6
• PubChem SID: 180675372
• PubChem CID: 10888404

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8589054
• LogD (pH = 7.4): 1.8589102
• Log P: 1.8589102
• Molar Refractivity: 43.0071 cm^3
• Polarizability: 16.46383 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%