5-bromo-3-chloropyridin-2-ol

• ChemBase ID: 289004
• Molecular Formular: C5H3BrClNO
• Molecular Mass: 208.44042
• Monoisotopic Mass: 206.9086534
• SMILES: Oc1ncc(Br)cc1Cl
• Canonical SMILES: Brc1cnc(c(c1)Cl)O
• InChI: InChI=1S/C5H3BrClNO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)
• InChIKey: IPWYUROVLMVBGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 58236-70-7
• PubChem SID: 180674535
• PubChem CID: 19050009

CALCULATED PROPERTIES

• Acid pKa: 9.398237
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4192085
• LogD (pH = 7.4): 2.414983
• Log P: 2.419263
• Molar Refractivity: 38.6231 cm^3
• Polarizability: 15.034116 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%