5-bromo-6-chloropyridin-2-ol

• ChemBase ID: 290603
• Molecular Formular: C5H3BrClNO
• Molecular Mass: 208.44042
• Monoisotopic Mass: 206.9086534
• SMILES: Oc1nc(Cl)c(Br)cc1
• Canonical SMILES: Oc1ccc(c(n1)Cl)Br
• InChI: InChI=1S/C5H3BrClNO/c6-3-1-2-4(9)8-5(3)7/h1-2H,(H,8,9)
• InChIKey: ZBUYQOPMGPFMJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-6-chloropyridin-2-ol
• IUPAC Traditional name: 5-bromo-6-chloropyridin-2-ol
• Synonyms: 5-Bromo-6-chloropyridin-2-ol

Database IDs

• CAS Number: 1227603-81-7
• PubChem SID: 180676134
• PubChem CID: 20473287

CALCULATED PROPERTIES

• Acid pKa: 10.2193
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.639432
• LogD (pH = 7.4): 2.6387901
• Log P: 2.63944
• Molar Refractivity: 39.6844 cm^3
• Polarizability: 15.073273 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%