2-(6-fluoropyridin-2-yl)ethan-1-ol

• ChemBase ID: 804389
• Molecular Formular: C7H8FNO
• Molecular Mass: 141.1429232
• Monoisotopic Mass: 141.0589921
• SMILES: C(Cc1nc(ccc1)F)O
• Canonical SMILES: OCCc1cccc(n1)F
• InChI: InChI=1S/C7H8FNO/c8-7-3-1-2-6(9-7)4-5-10/h1-3,10H,4-5H2
• InChIKey: ZLMBQPIAWYACLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-fluoropyridin-2-yl)ethan-1-ol
• IUPAC Traditional name: 2-(6-fluoropyridin-2-yl)ethanol
• Synonyms: 2-(6-FLUOROPYRIDIN-2-YL)ETHAN-1-OL

Database IDs

• CAS Number: 180207-36-7

CALCULATED PROPERTIES

• Acid pKa: 15.650238
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8433406
• LogD (pH = 7.4): 0.8433409
• Log P: 0.8433409
• Molar Refractivity: 36.1253 cm^3
• Polarizability: 13.365933 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%