(5-fluoropyridin-2-yl)methanol hydrochloride

• ChemBase ID: 292296
• Molecular Formular: C6H7ClFNO
• Molecular Mass: 163.5772832
• Monoisotopic Mass: 163.02001975
• SMILES: Cl.OCc1ncc(F)cc1
• Canonical SMILES: OCc1ccc(cn1)F.Cl
• InChI: InChI=1S/C6H6FNO.ClH/c7-5-1-2-6(4-9)8-3-5;/h1-3,9H,4H2;1H
• InChIKey: IYKNCNLUXFXAHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-fluoropyridin-2-yl)methanol hydrochloride
• IUPAC Traditional name: (5-fluoropyridin-2-yl)methanol hydrochloride
• Synonyms: (5-Fluoropyridin-2-yl)methanol hydrochloride

Database IDs

• CAS Number: 31181-80-3
• PubChem SID: 180677827
• PubChem CID: 70701088

CALCULATED PROPERTIES

• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 14.198475
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.21215834
• LogD (pH = 7.4): 0.21239437
• Log P: 0.21239744
• Molar Refractivity: 30.4112 cm^3
• Polarizability: 11.614278 Å^3

PROPERTIES

Product Information

• Purity: 95+%