2-(3-fluoropyridin-2-yl)ethan-1-ol

• ChemBase ID: 804390
• Molecular Formular: C7H8FNO
• Molecular Mass: 141.1429232
• Monoisotopic Mass: 141.0589921
• SMILES: C(Cc1ncccc1F)O
• Canonical SMILES: OCCc1ncccc1F
• InChI: InChI=1S/C7H8FNO/c8-6-2-1-4-9-7(6)3-5-10/h1-2,4,10H,3,5H2
• InChIKey: WARUSRKZDZSIBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluoropyridin-2-yl)ethan-1-ol
• IUPAC Traditional name: 2-(3-fluoropyridin-2-yl)ethanol
• Synonyms: 2-(3-FLUOROPYRIDIN-2-YL)ETHAN-1-OL

CALCULATED PROPERTIES

• Acid pKa: 15.546463
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.44752398
• LogD (pH = 7.4): 0.4493864
• Log P: 0.44941017
• Molar Refractivity: 35.1106 cm^3
• Polarizability: 13.367324 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%