3-bromo-6-methylpyridin-2-ol

• ChemBase ID: 813290
• Molecular Formular: C6H6BrNO
• Molecular Mass: 188.02194
• Monoisotopic Mass: 186.96327582
• SMILES: c1c(c(nc(c1)C)O)Br
• Canonical SMILES: Cc1ccc(c(n1)O)Br
• InChI: InChI=1S/C6H6BrNO/c1-4-2-3-5(7)6(9)8-4/h2-3H,1H3,(H,8,9)
• InChIKey: NYYSVYAQWWOZFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-6-methylpyridin-2-ol
• IUPAC Traditional name: 3-bromo-6-methylpyridin-2-ol
• Synonyms: 3-BROMO-2-HYDROXY-6-PICOLINE

Database IDs

• CAS Number: 374633-33-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9465276
• LogD (pH = 7.4): 1.9456979
• Log P: 1.9465884
• Molar Refractivity: 38.4098 cm^3
• Polarizability: 14.730994 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 10.08242

PROPERTIES

Product Information

• Purity: 98%