5-iodopyridin-3-ol

• ChemBase ID: 32431
• Molecular Formular: C5H4INO
• Molecular Mass: 220.99583
• Monoisotopic Mass: 220.93376175
• SMILES: c1(cncc(c1)I)O
• Canonical SMILES: Oc1cncc(c1)I
• InChI: InChI=1S/C5H4INO/c6-4-1-5(8)3-7-2-4/h1-3,8H
• InChIKey: DSEJPUFYKFQODK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-iodopyridin-3-ol
• IUPAC Traditional name: 5-iodopyridin-3-ol
• Synonyms: 5-Iodopyridin-3-ol; 5-Iodopyridin-3-ol

Database IDs

• CAS Number: 213765-61-8
• MDL Number: MFCD10574981
• PubChem SID: 160995738
• PubChem CID: 10489145

CALCULATED PROPERTIES

• Acid pKa: 8.041549
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3749315
• LogD (pH = 7.4): 1.293516
• Log P: 1.3809526
• Molar Refractivity: 39.2445 cm^3
• Polarizability: 15.379208 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): C5H4INO

DETAILS

Sigma Aldrich - ADE000435

Other Notes
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Legal Information
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