2-(4-bromophenyl)pyrimidin-5-ol

• ChemBase ID: 311800
• Molecular Formular: C10H7BrN2O
• Molecular Mass: 251.07938
• Monoisotopic Mass: 249.97417485
• SMILES: c1(ncc(cn1)O)c1ccc(cc1)Br
• Canonical SMILES: Oc1cnc(nc1)c1ccc(cc1)Br
• InChI: InChI=1S/C10H7BrN2O/c11-8-3-1-7(2-4-8)10-12-5-9(14)6-13-10/h1-6,14H
• InChIKey: AEBHYMIVEFXSKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromophenyl)pyrimidin-5-ol
• IUPAC Traditional name: 2-(4-bromophenyl)pyrimidin-5-ol
• Synonyms: 2-(4-bromophenyl)pyrimidin-5-ol

Database IDs

• CAS Number: 111336-11-9
• MDL Number: MFCD00601648

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8901103
• LogD (pH = 7.4): 2.8753438
• Log P: 2.8903575
• Molar Refractivity: 67.7371 cm^3
• Polarizability: 22.185547 Å^3
• Polar Surface Area: 46.01 Å^2