5-bromo-2-chloropyridin-4-ol

• ChemBase ID: 814081
• Molecular Formular: C5H3BrClNO
• Molecular Mass: 208.44042
• Monoisotopic Mass: 206.9086534
• SMILES: n1c(cc(c(c1)Br)O)Cl
• Canonical SMILES: Clc1ncc(c(c1)O)Br
• InChI: InChI=1S/C5H3BrClNO/c6-3-2-8-5(7)1-4(3)9/h1-2H,(H,8,9)
• InChIKey: HKPSSVMYMKAABY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-chloropyridin-4-ol
• IUPAC Traditional name: 5-bromo-2-chloropyridin-4-ol
• Synonyms: 5-bromo-2-chloropyridin-4-ol

Database IDs

• CAS Number: 1196146-82-3

CALCULATED PROPERTIES

• Acid pKa: 8.034565
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.043743
• LogD (pH = 7.4): 1.9565045
• Log P: 2.0449824
• Molar Refractivity: 39.3709 cm^3
• Polarizability: 15.060499 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%