7-(4-fluorophenyl)pteridin-4-ol

• ChemBase ID: 114822
• Molecular Formular: C12H7FN4O
• Molecular Mass: 242.2085832
• Monoisotopic Mass: 242.06038908
• SMILES: c12c(nc(cn1)c1ccc(cc1)F)ncnc2O
• Canonical SMILES: Fc1ccc(cc1)c1cnc2c(n1)ncnc2O
• InChI: InChI=1S/C12H7FN4O/c13-8-3-1-7(2-4-8)9-5-14-10-11(17-9)15-6-16-12(10)18/h1-6H,(H,15,16,17,18)
• InChIKey: UYUPUYXAXAIKIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(4-fluorophenyl)pteridin-4-ol
• IUPAC Traditional name: 7-(4-fluorophenyl)pteridin-4-ol
• Synonyms: 7-(4-Fluorophenyl)pteridin-4-ol

Database IDs

• MDL Number: MFCD08061291
• PubChem SID: 162099693
• PubChem CID: 7147315

CALCULATED PROPERTIES

• Acid pKa: 10.491296
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.1672316
• LogD (pH = 7.4): 2.1668963
• Log P: 2.1672423
• Molar Refractivity: 62.9625 cm^3
• Polarizability: 24.822023 Å^3
• Polar Surface Area: 71.79 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.67859

Product Information

• Purity: 95+%