2-bromo-3,6-dimethoxypyridine

• ChemBase ID: 290636
• Molecular Formular: C7H8BrNO2
• Molecular Mass: 218.04792
• Monoisotopic Mass: 216.9738405
• SMILES: COc1ccc(OC)c(Br)n1
• Canonical SMILES: COc1ccc(c(n1)Br)OC
• InChI: InChI=1S/C7H8BrNO2/c1-10-5-3-4-6(11-2)9-7(5)8/h3-4H,1-2H3
• InChIKey: XMCFWNOIAZLZSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3,6-dimethoxypyridine
• IUPAC Traditional name: 2-bromo-3,6-dimethoxypyridine
• Synonyms: 2-Bromo-3,6-dimethoxypyridine

Database IDs

• CAS Number: 1211525-11-9
• PubChem SID: 180676167
• PubChem CID: 54758810

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0089629
• LogD (pH = 7.4): 2.008963
• Log P: 2.008963
• Molar Refractivity: 45.606 cm^3
• Polarizability: 17.475603 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%