4-fluoropyridin-2-ol

• ChemBase ID: 68086
• Molecular Formular: C5H4FNO
• Molecular Mass: 113.0897632
• Monoisotopic Mass: 113.02769197
• SMILES: c1(cc(ccn1)F)O
• Canonical SMILES: Fc1ccnc(c1)O
• InChI: InChI=1S/C5H4FNO/c6-4-1-2-7-5(8)3-4/h1-3H,(H,7,8)
• InChIKey: XSRUCRGHYLPMHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoropyridin-2-ol
• IUPAC Traditional name: 4-fluoropyridin-2-ol
• Synonyms: 4-Fluoropyridin-2-ol

Database IDs

• CAS Number: 96530-75-5
• MDL Number: MFCD07437952
• PubChem SID: 162033818
• PubChem CID: 338459

CALCULATED PROPERTIES

• Acid pKa: 10.243667
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1890186
• LogD (pH = 7.4): 1.1885517
• Log P: 1.1891675
• Molar Refractivity: 26.4119 cm^3
• Polarizability: 9.793647 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: 95+%; 97%