4-nitropyridin-2-ol

• ChemBase ID: 797108
• Molecular Formular: C5H4N2O3
• Molecular Mass: 140.09686
• Monoisotopic Mass: 140.022192
• SMILES: n1c(cc(cc1)[N+](=O)[O-])O
• Canonical SMILES: Oc1nccc(c1)[N+](=O)[O-]
• InChI: InChI=1S/C5H4N2O3/c8-5-3-4(7(9)10)1-2-6-5/h1-3H,(H,6,8)
• InChIKey: STJAXIFXCBWILG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-nitropyridin-2-ol
• IUPAC Traditional name: 4-nitropyridin-2-ol
• Synonyms: 4-Nitropyridin-2-ol

Database IDs

• CAS Number: 4487-51-8

CALCULATED PROPERTIES

• Acid pKa: 9.639507
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.9864187
• LogD (pH = 7.4): 0.98399204
• Log P: 0.9864498
• Molar Refractivity: 32.516 cm^3
• Polarizability: 12.044012 Å^3
• Polar Surface Area: 76.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%