[6-(bromomethyl)pyridin-2-yl]methanol

• ChemBase ID: 798824
• Molecular Formular: C7H8BrNO
• Molecular Mass: 202.04852
• Monoisotopic Mass: 200.97892588
• SMILES: C(O)c1nc(ccc1)CBr
• Canonical SMILES: OCc1cccc(n1)CBr
• InChI: InChI=1S/C7H8BrNO/c8-4-6-2-1-3-7(5-10)9-6/h1-3,10H,4-5H2
• InChIKey: JLYYQZROGJLCCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(bromomethyl)pyridin-2-yl]methanol
• IUPAC Traditional name: [6-(bromomethyl)pyridin-2-yl]methanol
• Synonyms: (6-(bromomethyl)pyridin-2-yl)methanol

Database IDs

• CAS Number: 40054-01-1

CALCULATED PROPERTIES

• Acid pKa: 14.204435
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.91459066
• LogD (pH = 7.4): 0.92378616
• Log P: 0.9239048
• Molar Refractivity: 42.523 cm^3
• Polarizability: 16.503922 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%