6-bromo-5-nitropyridin-2-ol

• ChemBase ID: 804038
• Molecular Formular: C5H3BrN2O3
• Molecular Mass: 218.99292
• Monoisotopic Mass: 217.93270397
• SMILES: n1c(c(ccc1O)[N+](=O)[O-])Br
• Canonical SMILES: [O-][N+](=O)c1ccc(nc1Br)O
• InChI: InChI=1S/C5H3BrN2O3/c6-5-3(8(10)11)1-2-4(9)7-5/h1-2H,(H,7,9)
• InChIKey: RCFCOAZLLFZYKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-5-nitropyridin-2-ol
• IUPAC Traditional name: 6-bromo-5-nitropyridin-2-ol
• Synonyms: 2-BROMO-6-HYDROXY-3-NITROPYRIDINE

Database IDs

• CAS Number: 623563-76-8

CALCULATED PROPERTIES

• Acid pKa: 8.387735
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9601706
• LogD (pH = 7.4): 1.918858
• Log P: 1.9607245
• Molar Refractivity: 40.981 cm^3
• Polarizability: 15.214212 Å^3
• Polar Surface Area: 76.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%