2,6-dibromopyridin-3-ol

• ChemBase ID: 294150
• Molecular Formular: C5H3Br2NO
• Molecular Mass: 252.89142
• Monoisotopic Mass: 250.85813772
• SMILES: Oc1ccc(Br)nc1Br
• Canonical SMILES: Brc1ccc(c(n1)Br)O
• InChI: InChI=1S/C5H3Br2NO/c6-4-2-1-3(9)5(7)8-4/h1-2,9H
• InChIKey: RKOLKIWJSXSHLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromopyridin-3-ol
• IUPAC Traditional name: 2,6-dibromopyridin-3-ol
• Synonyms: 2,6-Dibromo-3-hydroxypyridine

Database IDs

• CAS Number: 6602-33-1
• PubChem SID: 180679681
• PubChem CID: 81077

CALCULATED PROPERTIES

• Acid pKa: 6.8419056
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.38166
• LogD (pH = 7.4): 1.769321
• Log P: 2.4005573
• Molar Refractivity: 42.812 cm^3
• Polarizability: 16.267538 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%