2,4-dimethoxypyridine

• ChemBase ID: 293443
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: COc1cc(OC)ncc1
• Canonical SMILES: COc1ccnc(c1)OC
• InChI: InChI=1S/C7H9NO2/c1-9-6-3-4-8-7(5-6)10-2/h3-5H,1-2H3
• InChIKey: CSJLJSGWKXPGRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethoxypyridine
• IUPAC Traditional name: 2,4-dimethoxypyridine
• Synonyms: 2,4-Dimethoxypyridine

Database IDs

• CAS Number: 18677-43-5
• MDL Number: MFCD01646187
• PubChem SID: 180678974
• PubChem CID: 817731

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0051835
• LogD (pH = 7.4): 1.0343033
• Log P: 1.0346884
• Molar Refractivity: 37.141 cm^3
• Polarizability: 14.475594 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%