2-bromo-5-chloropyridin-4-ol

• ChemBase ID: 89557
• Molecular Formular: C5H3BrClNO
• Molecular Mass: 208.44042
• Monoisotopic Mass: 206.9086534
• SMILES: n1c(cc(c(c1)Cl)O)Br
• Canonical SMILES: Brc1ncc(c(c1)O)Cl
• InChI: InChI=1S/C5H3BrClNO/c6-5-1-4(9)3(7)2-8-5/h1-2H,(H,8,9)
• InChIKey: CSRAUIQMWHYTRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-chloropyridin-4-ol
• IUPAC Traditional name: 2-bromo-5-chloropyridin-4-ol
• Synonyms: 2-Bromo-5-chloropyridin-4-ol; 2-Bromo-5-chloro-4-hydroxypyridine; 2-bromo-5-chloropyridin-4-ol

Database IDs

• CAS Number: 1196145-66-0
• PubChem SID: 162076434
• PubChem CID: 57336549

CALCULATED PROPERTIES

• Acid pKa: 7.9283733
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0287454
• LogD (pH = 7.4): 1.9204013
• Log P: 2.0303273
• Molar Refractivity: 39.1518 cm^3
• Polarizability: 15.073288 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon

Product Information

• Purity: 98%