4-chloro-3-nitropyridin-2-ol

• ChemBase ID: 288345
• Molecular Formular: C5H3ClN2O3
• Molecular Mass: 174.54192
• Monoisotopic Mass: 173.98321965
• SMILES: O=[N+](c1c(Cl)ccnc1O)[O-]
• Canonical SMILES: [O-][N+](=O)c1c(Cl)ccnc1O
• InChI: InChI=1S/C5H3ClN2O3/c6-3-1-2-7-5(9)4(3)8(10)11/h1-2H,(H,7,9)
• InChIKey: UKIZCTHOMJXNIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-3-nitropyridin-2-ol
• IUPAC Traditional name: 4-chloro-3-nitropyridin-2-ol
• Synonyms: 4-Chloro-2-hydroxy-3-nitropyridine

Database IDs

• CAS Number: 165547-79-5
• MDL Number: MFCD09701353
• PubChem SID: 180673876
• PubChem CID: 519282

CALCULATED PROPERTIES

• Acid pKa: 7.96918
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5890492
• LogD (pH = 7.4): 1.4889117
• Log P: 1.5904945
• Molar Refractivity: 37.3208 cm^3
• Polarizability: 14.067197 Å^3
• Polar Surface Area: 76.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%