(4-bromo-6-methylpyridin-2-yl)methanol

• ChemBase ID: 807215
• Molecular Formular: C7H8BrNO
• Molecular Mass: 202.04852
• Monoisotopic Mass: 200.97892588
• SMILES: C(O)c1nc(cc(c1)Br)C
• Canonical SMILES: OCc1cc(Br)cc(n1)C
• InChI: InChI=1S/C7H8BrNO/c1-5-2-6(8)3-7(4-10)9-5/h2-3,10H,4H2,1H3
• InChIKey: VSYVUCDSONNKNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromo-6-methylpyridin-2-yl)methanol
• IUPAC Traditional name: (4-bromo-6-methylpyridin-2-yl)methanol
• Synonyms: (4-BROMO-6-METHYL-PYRIDIN-2-YL)-METHANOL

CALCULATED PROPERTIES

• Acid pKa: 14.164517
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.94185
• LogD (pH = 7.4): 0.9694544
• Log P: 0.9698183
• Molar Refractivity: 42.4091 cm^3
• Polarizability: 16.524967 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%