2-chloro-5-fluoropyridin-3-ol

• ChemBase ID: 23778
• Molecular Formular: C5H3ClFNO
• Molecular Mass: 147.5348232
• Monoisotopic Mass: 146.98871962
• SMILES: c1(cnc(c(c1)O)Cl)F
• Canonical SMILES: Fc1cnc(c(c1)O)Cl
• InChI: InChI=1S/C5H3ClFNO/c6-5-4(9)1-3(7)2-8-5/h1-2,9H
• InChIKey: QGIBCEFTNKAIAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-fluoropyridin-3-ol
• IUPAC Traditional name: 2-chloro-5-fluoropyridin-3-ol
• Synonyms: 2-Chloro-5-fluoro-pyridin-3-ol; 2-CHLORO-5-FLUORO-3-HYDROXYPYRIDINE; 2-Chloro-5-fluoro-pyridin-3-ol

Database IDs

• CAS Number: 884494-35-3
• MDL Number: MFCD03095268
• PubChem SID: 160987085
• PubChem CID: 24229205

CALCULATED PROPERTIES

• Acid pKa: 6.309458
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3579174
• LogD (pH = 7.4): 0.40589777
• Log P: 1.4189318
• Molar Refractivity: 31.9645 cm^3
• Polarizability: 11.846625 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C5H3ClFNO

DETAILS

Sigma Aldrich - ADE000405

Other Notes
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