2-chloro-5-nitropyridin-4-ol

• ChemBase ID: 795765
• Molecular Formular: C5H3ClN2O3
• Molecular Mass: 174.54192
• Monoisotopic Mass: 173.98321965
• SMILES: n1c(cc(c(c1)[N+](=O)[O-])O)Cl
• Canonical SMILES: [O-][N+](=O)c1cnc(cc1O)Cl
• InChI: InChI=1S/C5H3ClN2O3/c6-5-1-4(9)3(2-7-5)8(10)11/h1-2H,(H,7,9)
• InChIKey: ISUVKOGCKDBJMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-nitropyridin-4-ol
• IUPAC Traditional name: 2-chloro-5-nitropyridin-4-ol
• Synonyms: 2-Chloro-5-nitropyridin-4-ol

Database IDs

• CAS Number: 1211386-69-4

CALCULATED PROPERTIES

• Acid pKa: 6.5469036
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1799879
• LogD (pH = 7.4): 0.38620764
• Log P: 1.2162141
• Molar Refractivity: 38.0686 cm^3
• Polarizability: 14.088384 Å^3
• Polar Surface Area: 76.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%