4-bromo-6-methylpyridin-2-ol

• ChemBase ID: 289134
• Molecular Formular: C6H6BrNO
• Molecular Mass: 188.02194
• Monoisotopic Mass: 186.96327582
• SMILES: Cc1cc(Br)cc(O)n1
• Canonical SMILES: Brc1cc(C)nc(c1)O
• InChI: InChI=1S/C6H6BrNO/c1-4-2-5(7)3-6(9)8-4/h2-3H,1H3,(H,8,9)
• InChIKey: RXVJMXCAYIZVKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-6-methylpyridin-2-ol
• IUPAC Traditional name: 4-bromo-6-methylpyridin-2-ol
• Synonyms: 4-Bromo-6-methylpyridin-2-ol

Database IDs

• CAS Number: 865156-59-8
• MDL Number: MFCD16610030
• PubChem SID: 180674665
• PubChem CID: 23149472

CALCULATED PROPERTIES

• Acid pKa: 10.757159
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9465854
• LogD (pH = 7.4): 1.9463998
• Log P: 1.9465884
• Molar Refractivity: 38.4098 cm^3
• Polarizability: 14.720204 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%