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

• ChemBase ID: 292673
• Molecular Formular: C6H5BrClNO
• Molecular Mass: 222.467
• Monoisotopic Mass: 220.92430347
• SMILES: OCc1ccc(Cl)nc1Br
• Canonical SMILES: OCc1ccc(nc1Br)Cl
• InChI: InChI=1S/C6H5BrClNO/c7-6-4(3-10)1-2-5(8)9-6/h1-2,10H,3H2
• InChIKey: CUVPULOYOCRYDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1227589-11-8
• PubChem SID: 180678204
• PubChem CID: 70701000

CALCULATED PROPERTIES

• Acid pKa: 14.421764
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7867202
• LogD (pH = 7.4): 1.78672
• Log P: 1.7867202
• Molar Refractivity: 45.0481 cm^3
• Polarizability: 16.893589 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%