2-bromo-5-methoxypyridin-4-ol

• ChemBase ID: 89565
• Molecular Formular: C6H6BrNO2
• Molecular Mass: 204.02134
• Monoisotopic Mass: 202.95819044
• SMILES: n1c(cc(c(c1)OC)O)Br
• Canonical SMILES: COc1cnc(cc1O)Br
• InChI: InChI=1S/C6H6BrNO2/c1-10-5-3-8-6(7)2-4(5)9/h2-3H,1H3,(H,8,9)
• InChIKey: CIOJXZMVRSZZAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-methoxypyridin-4-ol
• IUPAC Traditional name: 2-bromo-5-methoxypyridin-4-ol
• Synonyms: 2-Bromo-5-methoxypyridin-4-ol; 6-Bromo-4-hydroxypyridin-3-yl methyl ether; 2-Bromo-4-hydroxy-5-methoxypyridine

Database IDs

• PubChem SID: 162104714
• PubChem CID: 53429158

CALCULATED PROPERTIES

• Acid pKa: 10.550455
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2686044
• LogD (pH = 7.4): 1.2683107
• Log P: 1.2686114
• Molar Refractivity: 40.8102 cm^3
• Polarizability: 15.608308 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon