(2,6-dibromopyridin-3-yl)methanol

• ChemBase ID: 291924
• Molecular Formular: C6H5Br2NO
• Molecular Mass: 266.918
• Monoisotopic Mass: 264.87378779
• SMILES: OCc1ccc(Br)nc1Br
• Canonical SMILES: OCc1ccc(nc1Br)Br
• InChI: InChI=1S/C6H5Br2NO/c7-5-2-1-4(3-10)6(8)9-5/h1-2,10H,3H2
• InChIKey: OQMAYLHEFKJFQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,6-dibromopyridin-3-yl)methanol
• IUPAC Traditional name: (2,6-dibromopyridin-3-yl)methanol
• Synonyms: (2,6-Dibromopyridin-3-yl)methanol

Database IDs

• CAS Number: 55483-88-0
• MDL Number: MFCD02942305
• PubChem SID: 180677455
• PubChem CID: 1236673

CALCULATED PROPERTIES

• Acid pKa: 14.406824
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.936773
• LogD (pH = 7.4): 1.9367728
• Log P: 1.936773
• Molar Refractivity: 47.647 cm^3
• Polarizability: 18.026096 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%