5-bromo-4,6-dimethylpyridin-2-ol

• ChemBase ID: 798235
• Molecular Formular: C7H8BrNO
• Molecular Mass: 202.04852
• Monoisotopic Mass: 200.97892588
• SMILES: n1c(cc(c(c1C)Br)C)O
• Canonical SMILES: Oc1cc(C)c(c(n1)C)Br
• InChI: InChI=1S/C7H8BrNO/c1-4-3-6(10)9-5(2)7(4)8/h3H,1-2H3,(H,9,10)
• InChIKey: WNZWLNPIBWWXBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-4,6-dimethylpyridin-2-ol
• IUPAC Traditional name: 5-bromo-4,6-dimethylpyridin-2-ol
• Synonyms: 5-broMo-4,6-diMethylpyridin-2-ol

Database IDs

• CAS Number: 89694-55-3

CALCULATED PROPERTIES

• Acid pKa: 11.1239605
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4600077
• LogD (pH = 7.4): 2.4599288
• Log P: 2.4600098
• Molar Refractivity: 43.451 cm^3
• Polarizability: 16.45592 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%