3,5-dibromo-4-methylpyridin-2-ol

• ChemBase ID: 811443
• Molecular Formular: C6H5Br2NO
• Molecular Mass: 266.918
• Monoisotopic Mass: 264.87378779
• SMILES: n1c(c(c(c(c1)Br)C)Br)O
• Canonical SMILES: Brc1cnc(c(c1C)Br)O
• InChI: InChI=1S/C6H5Br2NO/c1-3-4(7)2-9-6(10)5(3)8/h2H,1H3,(H,9,10)
• InChIKey: LZRVNGJBQXHGIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromo-4-methylpyridin-2-ol
• IUPAC Traditional name: 3,5-dibromo-4-methylpyridin-2-ol
• Synonyms: 3,5-DIBROMO-2-HYDROXY-4-METHYLPYRIDINE

Database IDs

• CAS Number: 89581-53-3

CALCULATED PROPERTIES

• Acid pKa: 9.601809
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0973566
• LogD (pH = 7.4): 3.0947077
• Log P: 3.0973923
• Molar Refractivity: 46.4823 cm^3
• Polarizability: 17.87542 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%