6-bromo-5-chloropyridin-3-ol

• ChemBase ID: 70038
• Molecular Formular: C5H3BrClNO
• Molecular Mass: 208.44042
• Monoisotopic Mass: 206.9086534
• SMILES: c1(c(cc(cn1)O)Cl)Br
• Canonical SMILES: Oc1cnc(c(c1)Cl)Br
• InChI: InChI=1S/C5H3BrClNO/c6-5-4(7)1-3(9)2-8-5/h1-2,9H
• InChIKey: DHKTYYVUEJTFHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-5-chloropyridin-3-ol
• IUPAC Traditional name: 6-bromo-5-chloropyridin-3-ol
• Synonyms: 2-Bromo-3-chloro-5-hydroxypyridine

Database IDs

• CAS Number: 130284-56-9
• MDL Number: MFCD09835244
• PubChem SID: 162035763
• PubChem CID: 14595225

CALCULATED PROPERTIES

• Acid pKa: 7.5487957
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0265403
• LogD (pH = 7.4): 1.8035003
• Log P: 2.0303273
• Molar Refractivity: 39.1518 cm^3
• Polarizability: 15.076566 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%