2-amino-5-nitropyridin-3-ol

• ChemBase ID: 289485
• Molecular Formular: C5H5N3O3
• Molecular Mass: 155.1115
• Monoisotopic Mass: 155.03309104
• SMILES: Oc1cc([N+](=O)[O-])cnc1N
• Canonical SMILES: [O-][N+](=O)c1cnc(c(c1)O)N
• InChI: InChI=1S/C5H5N3O3/c6-5-4(9)1-3(2-7-5)8(10)11/h1-2,9H,(H2,6,7)
• InChIKey: UXLVADZLQKGFIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-nitropyridin-3-ol
• IUPAC Traditional name: 2-amino-5-nitropyridin-3-ol
• Synonyms: 2-Amino-5-nitropyridin-3-ol

Database IDs

• CAS Number: 908248-27-1
• MDL Number: MFCD13193356
• PubChem SID: 180675016
• PubChem CID: 5373425

CALCULATED PROPERTIES

• Acid pKa: 7.9545755
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.15594403
• LogD (pH = 7.4): 0.053192765
• Log P: 0.15752383
• Molar Refractivity: 37.2164 cm^3
• Polarizability: 13.218245 Å^3
• Polar Surface Area: 102.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%