2-bromo-5-iodopyridin-3-ol

• ChemBase ID: 32946
• Molecular Formular: C5H3BrINO
• Molecular Mass: 299.89189
• Monoisotopic Mass: 298.84427372
• SMILES: c1(cnc(c(c1)O)Br)I
• Canonical SMILES: Ic1cnc(c(c1)O)Br
• InChI: InChI=1S/C5H3BrINO/c6-5-4(9)1-3(7)2-8-5/h1-2,9H
• InChIKey: IWBJXACFIJFJHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1142191-52-3
• MDL Number: MFCD12026744
• PubChem SID: 160996253
• PubChem CID: 46736821

CALCULATED PROPERTIES

• Acid pKa: 6.6548395
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3265202
• LogD (pH = 7.4): 1.5893533
• Log P: 2.3552272
• Molar Refractivity: 47.7095 cm^3
• Polarizability: 18.616858 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: 97%
• Empirical Formula (Hill Notation): C5H3BrINO

DETAILS

Sigma Aldrich - ADE000476

Other Notes
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