6-chloro-5-nitropyridin-2-ol

• ChemBase ID: 245862
• Molecular Formular: C5H3ClN2O3
• Molecular Mass: 174.54192
• Monoisotopic Mass: 173.98321965
• SMILES: [N+](=O)(c1c(nc(cc1)O)Cl)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccc(nc1Cl)O
• InChI: InChI=1S/C5H3ClN2O3/c6-5-3(8(10)11)1-2-4(9)7-5/h1-2H,(H,7,9)
• InChIKey: DOWNGLMVNBZIBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-5-nitropyridin-2-ol
• IUPAC Traditional name: 6-chloro-5-nitropyridin-2-ol
• Synonyms: 6-chloro-5-nitropyridin-2-ol

Database IDs

• MDL Number: MFCD19441337
• PubChem SID: 164301772
• PubChem CID: 71464053

CALCULATED PROPERTIES

• Acid pKa: 8.416559
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8101534
• LogD (pH = 7.4): 1.7713693
• Log P: 1.8106717
• Molar Refractivity: 39.3863 cm^3
• Polarizability: 14.117715 Å^3
• Polar Surface Area: 78.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 199 - 201°C
• Hydrophobicity(logP): 1.56

Product Information

• Purity: 95%