3,5-dimethoxypyridine

• ChemBase ID: 293291
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: COc1cncc(OC)c1
• Canonical SMILES: COc1cncc(c1)OC
• InChI: InChI=1S/C7H9NO2/c1-9-6-3-7(10-2)5-8-4-6/h3-5H,1-2H3
• InChIKey: LPFKVVZTNDJALE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethoxypyridine
• IUPAC Traditional name: 3,5-dimethoxypyridine
• Synonyms: 3,5-Dimethoxypyridine

Database IDs

• CAS Number: 18677-48-0
• PubChem SID: 180678822
• PubChem CID: 817733

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.40951732
• LogD (pH = 7.4): 0.43982702
• Log P: 0.44023085
• Molar Refractivity: 36.8275 cm^3
• Polarizability: 14.47615 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%