3-fluoro-5-nitropyridin-2-ol

• ChemBase ID: 290237
• Molecular Formular: C5H3FN2O3
• Molecular Mass: 158.0873232
• Monoisotopic Mass: 158.01277019
• SMILES: Oc1ncc([N+](=O)[O-])cc1F
• Canonical SMILES: [O-][N+](=O)c1cnc(c(c1)F)O
• InChI: InChI=1S/C5H3FN2O3/c6-4-1-3(8(10)11)2-7-5(4)9/h1-2H,(H,7,9)
• InChIKey: WKCYGBXTZFFWMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-5-nitropyridin-2-ol
• IUPAC Traditional name: 3-fluoro-5-nitropyridin-2-ol
• Synonyms: 3-Fluoro-5-nitropyridin-2-ol

Database IDs

• CAS Number: 1033202-14-0
• PubChem SID: 180675768
• PubChem CID: 46738834

CALCULATED PROPERTIES

• Acid pKa: 8.126824
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1281452
• LogD (pH = 7.4): 1.0559081
• Log P: 1.1291517
• Molar Refractivity: 32.7324 cm^3
• Polarizability: 11.920805 Å^3
• Polar Surface Area: 76.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%