1-(5-fluoropyrimidin-2-yl)ethan-1-ol

• ChemBase ID: 289969
• Molecular Formular: C6H7FN2O
• Molecular Mass: 142.1309832
• Monoisotopic Mass: 142.05424107
• SMILES: CC(O)c1ncc(F)cn1
• Canonical SMILES: CC(c1ncc(cn1)F)O
• InChI: InChI=1S/C6H7FN2O/c1-4(10)6-8-2-5(7)3-9-6/h2-4,10H,1H3
• InChIKey: QYBNANBJFUDNAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-fluoropyrimidin-2-yl)ethan-1-ol
• IUPAC Traditional name: 1-(5-fluoropyrimidin-2-yl)ethanol
• Synonyms: 1-(5-Fluoropyrimidin-2-yl)ethanol

Database IDs

• CAS Number: 905587-43-1
• PubChem SID: 180675500
• PubChem CID: 66570653

CALCULATED PROPERTIES

• Acid pKa: 13.483894
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.42373997
• LogD (pH = 7.4): 0.4237399
• Log P: 0.4237403
• Molar Refractivity: 33.7592 cm^3
• Polarizability: 12.61532 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%