2,5-dibromopyridin-4-ol

• ChemBase ID: 802722
• Molecular Formular: C5H3Br2NO
• Molecular Mass: 252.89142
• Monoisotopic Mass: 250.85813772
• SMILES: n1c(cc(c(c1)Br)O)Br
• Canonical SMILES: Brc1ncc(c(c1)O)Br
• InChI: InChI=1S/C5H3Br2NO/c6-3-2-8-5(7)1-4(3)9/h1-2H,(H,8,9)
• InChIKey: BMKGVEHUYFIUJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dibromopyridin-4-ol
• IUPAC Traditional name: 2,5-dibromopyridin-4-ol
• Synonyms: 2,5-DIBROMOPYRIDIN-4-OL

Database IDs

• CAS Number: 1033203-55-2

CALCULATED PROPERTIES

• Acid pKa: 8.017971
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1937475
• LogD (pH = 7.4): 2.1034722
• Log P: 2.1950352
• Molar Refractivity: 41.9698 cm^3
• Polarizability: 16.22066 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%