5-bromo-3-iodopyridin-2-ol

• ChemBase ID: 23724
• Molecular Formular: C5H3BrINO
• Molecular Mass: 299.89189
• Monoisotopic Mass: 298.84427372
• SMILES: c1(cnc(c(c1)I)O)Br
• Canonical SMILES: Brc1cnc(c(c1)I)O
• InChI: InChI=1S/C5H3BrINO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)
• InChIKey: WAUPPDAXWKLNNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-3-iodopyridin-2-ol
• IUPAC Traditional name: 5-bromo-3-iodopyridin-2-ol
• Synonyms: 5-Bromo-3-iodo-pyridin-2-ol; 5-Bromo-3-iodo-2-pyridinol; 5-Bromo-3-iodo-2-pyridone; 5-Bromo-3-iodo-2-hydroxypyridine; 5-Bromo-3-iodo-pyridin-2-ol; 5-溴-3-碘-2-羟基吡啶

Database IDs

• CAS Number: 381233-75-6
• MDL Number: MFCD08688586
• PubChem SID: 160987031
• PubChem CID: 12027787

CALCULATED PROPERTIES

• Acid pKa: 9.6887665
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.744135
• LogD (pH = 7.4): 2.7419646
• Log P: 2.7441628
• Molar Refractivity: 47.1808 cm^3
• Polarizability: 18.578667 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 226-227°C

Safety Information

• Storage Warning: IRRITANT; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C5H3BrINO

DETAILS

Sigma Aldrich - ADE000304

Other Notes
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Legal Information
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