5-bromo-4-methoxypyridin-2-ol

• ChemBase ID: 244932
• Molecular Formular: C6H6BrNO2
• Molecular Mass: 204.02134
• Monoisotopic Mass: 202.95819044
• SMILES: c1c(c(cnc1O)Br)OC
• Canonical SMILES: COc1cc(O)ncc1Br
• InChI: InChI=1S/C6H6BrNO2/c1-10-5-2-6(9)8-3-4(5)7/h2-3H,1H3,(H,8,9)
• InChIKey: IBSZUOVAWOLIED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-4-methoxypyridin-2-ol
• IUPAC Traditional name: 5-bromo-4-methoxypyridin-2-ol
• Synonyms: 5-bromo-4-methoxypyridin-2-ol

Database IDs

• MDL Number: MFCD22057701
• PubChem SID: 164300842
• PubChem CID: 71695405

CALCULATED PROPERTIES

• Acid pKa: 10.728661
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.65735
• LogD (pH = 7.4): 1.6573433
• Log P: 1.657547
• Molar Refractivity: 40.2815 cm^3
• Polarizability: 15.56918 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 203 - 205°C
• Hydrophobicity(logP): 2.088

Product Information

• Purity: 95%