(5-bromopyrimidin-2-yl)methanol

• ChemBase ID: 289521
• Molecular Formular: C5H5BrN2O
• Molecular Mass: 189.01
• Monoisotopic Mass: 187.95852479
• SMILES: OCc1ncc(Br)cn1
• Canonical SMILES: OCc1ncc(cn1)Br
• InChI: InChI=1S/C5H5BrN2O/c6-4-1-7-5(3-9)8-2-4/h1-2,9H,3H2
• InChIKey: ZRHVXSBXNUJBGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-bromopyrimidin-2-yl)methanol
• IUPAC Traditional name: (5-bromopyrimidin-2-yl)methanol
• Synonyms: (5-Bromopyrimidin-2-yl)methanol

Database IDs

• CAS Number: 22433-12-1
• MDL Number: MFCD16610245
• PubChem SID: 180675052
• PubChem CID: 20557619

CALCULATED PROPERTIES

• Acid pKa: 13.52136
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5240173
• LogD (pH = 7.4): 0.5240192
• Log P: 0.52401954
• Molar Refractivity: 36.6717 cm^3
• Polarizability: 14.027493 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%