(3-bromo-6-methoxypyridin-2-yl)methanol

• ChemBase ID: 289561
• Molecular Formular: C7H8BrNO2
• Molecular Mass: 218.04792
• Monoisotopic Mass: 216.9738405
• SMILES: OCc1nc(OC)ccc1Br
• Canonical SMILES: COc1ccc(c(n1)CO)Br
• InChI: InChI=1S/C7H8BrNO2/c1-11-7-3-2-5(8)6(4-10)9-7/h2-3,10H,4H2,1H3
• InChIKey: FNRPOELSJDDLSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-bromo-6-methoxypyridin-2-yl)methanol
• IUPAC Traditional name: (3-bromo-6-methoxypyridin-2-yl)methanol
• Synonyms: (3-Bromo-6-methoxypyridin-2-yl)methanol

Database IDs

• CAS Number: 623942-84-7
• PubChem SID: 180675092
• PubChem CID: 11769918

CALCULATED PROPERTIES

• Acid pKa: 14.0063
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.275227
• LogD (pH = 7.4): 1.2752342
• Log P: 1.2752345
• Molar Refractivity: 44.5943 cm^3
• Polarizability: 17.366467 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%