5-nitropyridin-3-ol

• ChemBase ID: 294404
• Molecular Formular: C5H4N2O3
• Molecular Mass: 140.09686
• Monoisotopic Mass: 140.022192
• SMILES: Oc1cc([N+](=O)[O-])cnc1
• Canonical SMILES: [O-][N+](=O)c1cc(O)cnc1
• InChI: InChI=1S/C5H4N2O3/c8-5-1-4(7(9)10)2-6-3-5/h1-3,8H
• InChIKey: GFNBWBJRTVNLMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-nitropyridin-3-ol
• IUPAC Traditional name: 5-nitropyridin-3-ol
• Synonyms: 5-Nitropyridin-3-ol

Database IDs

• CAS Number: 186593-26-0
• PubChem SID: 180679935
• PubChem CID: 2762905

CALCULATED PROPERTIES

• Acid pKa: 7.054081
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.38032138
• LogD (pH = 7.4): -0.09308588
• Log P: 0.39199227
• Molar Refractivity: 32.2025 cm^3
• Polarizability: 12.041766 Å^3
• Polar Surface Area: 76.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%