5-fluoro-2-phenylpyrimidin-4-ol

• ChemBase ID: 798841
• Molecular Formular: C10H7FN2O
• Molecular Mass: 190.1737832
• Monoisotopic Mass: 190.05424107
• SMILES: c1(c(nc(nc1)c1ccccc1)O)F
• Canonical SMILES: Fc1cnc(nc1O)c1ccccc1
• InChI: InChI=1S/C10H7FN2O/c11-8-6-12-9(13-10(8)14)7-4-2-1-3-5-7/h1-6H,(H,12,13,14)
• InChIKey: BGEFHHAZUZUAPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-phenylpyrimidin-4-ol
• IUPAC Traditional name: 5-fluoro-2-phenylpyrimidin-4-ol
• Synonyms: 5-fluoro-2-phenyl-pyrimidin-4-ol

Database IDs

• CAS Number: 143328-90-9

CALCULATED PROPERTIES

• Acid pKa: 11.027623
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8919556
• LogD (pH = 7.4): 2.891858
• Log P: 2.8919575
• Molar Refractivity: 60.6442 cm^3
• Polarizability: 19.08608 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%