4,6-dibromo-2-methylpyridin-3-ol

• ChemBase ID: 798857
• Molecular Formular: C6H5Br2NO
• Molecular Mass: 266.918
• Monoisotopic Mass: 264.87378779
• SMILES: n1c(c(c(cc1Br)Br)O)C
• Canonical SMILES: Brc1cc(Br)c(c(n1)C)O
• InChI: InChI=1S/C6H5Br2NO/c1-3-6(10)4(7)2-5(8)9-3/h2,10H,1H3
• InChIKey: NRZJXHGQGKQDDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dibromo-2-methylpyridin-3-ol
• IUPAC Traditional name: 4,6-dibromo-2-methylpyridin-3-ol
• Synonyms: 4,6-dibromo-2-methylpyridin-3-ol

Database IDs

• CAS Number: 188923-75-3

CALCULATED PROPERTIES

• Acid pKa: 7.379381
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3207922
• LogD (pH = 7.4): 2.0239482
• Log P: 2.3264055
• Molar Refractivity: 46.5613 cm^3
• Polarizability: 17.91377 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%