(4-bromo-3-methylpyridin-2-yl)methanol

• ChemBase ID: 804057
• Molecular Formular: C7H8BrNO
• Molecular Mass: 202.04852
• Monoisotopic Mass: 200.97892588
• SMILES: C(O)c1nccc(c1C)Br
• Canonical SMILES: OCc1nccc(c1C)Br
• InChI: InChI=1S/C7H8BrNO/c1-5-6(8)2-3-9-7(5)4-10/h2-3,10H,4H2,1H3
• InChIKey: ZKKRJUOSVKZULD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromo-3-methylpyridin-2-yl)methanol
• IUPAC Traditional name: (4-bromo-3-methylpyridin-2-yl)methanol
• Synonyms: (4-BROMO-3-METHYLPYRIDIN-2-YL)METHANOL

CALCULATED PROPERTIES

• Acid pKa: 14.154074
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3329755
• LogD (pH = 7.4): 1.351626
• Log P: 1.3518696
• Molar Refractivity: 42.8588 cm^3
• Polarizability: 16.526226 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%