3-bromo-4-methylpyridin-2-ol

• ChemBase ID: 294285
• Molecular Formular: C6H6BrNO
• Molecular Mass: 188.02194
• Monoisotopic Mass: 186.96327582
• SMILES: Cc1c(Br)c(O)ncc1
• Canonical SMILES: Cc1ccnc(c1Br)O
• InChI: InChI=1S/C6H6BrNO/c1-4-2-3-8-6(9)5(4)7/h2-3H,1H3,(H,8,9)
• InChIKey: DDRFLSCTQJTMAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-4-methylpyridin-2-ol
• IUPAC Traditional name: 3-bromo-4-methylpyridin-2-ol
• Synonyms: 3-Bromo-4-methylpyridin-2-ol

Database IDs

• CAS Number: 18368-59-7
• MDL Number: MFCD09839708
• PubChem SID: 180679816
• PubChem CID: 13463813

CALCULATED PROPERTIES

• Acid pKa: 10.025297
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.328545
• LogD (pH = 7.4): 2.3276238
• Log P: 2.3286395
• Molar Refractivity: 38.8595 cm^3
• Polarizability: 14.73058 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%