4-bromo-3,5-dimethoxypyridine

• ChemBase ID: 289277
• Molecular Formular: C7H8BrNO2
• Molecular Mass: 218.04792
• Monoisotopic Mass: 216.9738405
• SMILES: COc1cncc(OC)c1Br
• Canonical SMILES: COc1cncc(c1Br)OC
• InChI: InChI=1S/C7H8BrNO2/c1-10-5-3-9-4-6(11-2)7(5)8/h3-4H,1-2H3
• InChIKey: VZEQDTASUOQIOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-3,5-dimethoxypyridine
• IUPAC Traditional name: 4-bromo-3,5-dimethoxypyridine
• Synonyms: 4-Bromo-3,5-dimethoxypyridine

Database IDs

• CAS Number: 1033610-45-5
• MDL Number: MFCD14705143
• PubChem SID: 180674808
• PubChem CID: 59200652

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2063981
• LogD (pH = 7.4): 1.2089509
• Log P: 1.2089835
• Molar Refractivity: 44.4503 cm^3
• Polarizability: 17.428642 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%