2-bromo-6-chloropyridin-3-ol

• ChemBase ID: 290644
• Molecular Formular: C5H3BrClNO
• Molecular Mass: 208.44042
• Monoisotopic Mass: 206.9086534
• SMILES: Oc1ccc(Cl)nc1Br
• Canonical SMILES: Clc1ccc(c(n1)Br)O
• InChI: InChI=1S/C5H3BrClNO/c6-5-3(9)1-2-4(7)8-5/h1-2,9H
• InChIKey: FHKFKPWGFUMBAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-chloropyridin-3-ol
• IUPAC Traditional name: 2-bromo-6-chloropyridin-3-ol
• Synonyms: 2-Bromo-6-chloropyridin-3-ol

Database IDs

• CAS Number: 1020253-16-0
• PubChem SID: 180676175
• PubChem CID: 46738682

CALCULATED PROPERTIES

• Acid pKa: 6.9076204
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2342057
• LogD (pH = 7.4): 1.6651098
• Log P: 2.2505045
• Molar Refractivity: 40.2131 cm^3
• Polarizability: 15.103001 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%