3-bromo-5-chloropyridin-2-ol

• ChemBase ID: 813554
• Molecular Formular: C5H3BrClNO
• Molecular Mass: 208.44042
• Monoisotopic Mass: 206.9086534
• SMILES: n1c(c(cc(c1)Cl)Br)O
• Canonical SMILES: Clc1cnc(c(c1)Br)O
• InChI: InChI=1S/C5H3BrClNO/c6-4-1-3(7)2-8-5(4)9/h1-2H,(H,8,9)
• InChIKey: IPCVJZRBMDESEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-chloropyridin-2-ol
• IUPAC Traditional name: 3-bromo-5-chloropyridin-2-ol
• Synonyms: 3-BROMO-5-CHLORO-2-HYDROXYPYRIDINE

Database IDs

• CAS Number: 137628-16-1

CALCULATED PROPERTIES

• Acid pKa: 9.439961
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4192135
• LogD (pH = 7.4): 2.4153728
• Log P: 2.419263
• Molar Refractivity: 38.6231 cm^3
• Polarizability: 15.018343 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%