[2-fluoro-5-(pyrimidin-5-yl)phenyl]methanol

• ChemBase ID: 839632
• Molecular Formular: C11H9FN2O
• Molecular Mass: 204.2003632
• Monoisotopic Mass: 204.06989114
• SMILES: c1(cc(c2cncnc2)ccc1F)CO
• Canonical SMILES: OCc1cc(ccc1F)c1cncnc1
• InChI: InChI=1S/C11H9FN2O/c12-11-2-1-8(3-9(11)6-15)10-4-13-7-14-5-10/h1-5,7,15H,6H2
• InChIKey: RIVWCKOVZHQHMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-fluoro-5-(pyrimidin-5-yl)phenyl]methanol
• IUPAC Traditional name: [2-fluoro-5-(pyrimidin-5-yl)phenyl]methanol
• Synonyms: (2-fluoro-5-pyrimidin-5-ylphenyl)methanol

CALCULATED PROPERTIES

JChem

• Log P: 1.072313
• Molar Refractivity: 54.8908 cm^3
• Polarizability: 21.58984 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 14.455093
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0722884
• LogD (pH = 7.4): 1.0723126

供应商提供(Chembridge)

• Log P: 0.37
• LOG S: -1.01
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 2
• H Acceptors: 3
• H Donor: 1