5-chloro-3-iodopyridin-2-ol

• ChemBase ID: 54417
• Molecular Formular: C5H3ClINO
• Molecular Mass: 255.44089
• Monoisotopic Mass: 254.8947894
• SMILES: c1(cnc(c(c1)I)O)Cl
• Canonical SMILES: Clc1cnc(c(c1)I)O
• InChI: InChI=1S/C5H3ClINO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)
• InChIKey: DKIIUJUXHIPYFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-3-iodopyridin-2-ol
• IUPAC Traditional name: 5-chloro-3-iodopyridin-2-ol
• Synonyms: 5-Chloro-3-iodopyridin-2-ol; 5-Chloro-3-iodopyridin-2-ol

Database IDs

• CAS Number: 188057-28-5
• MDL Number: MFCD08276120
• PubChem SID: 162059180
• PubChem CID: 19597644

CALCULATED PROPERTIES

• Acid pKa: 9.686824
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5794268
• LogD (pH = 7.4): 2.5772467
• Log P: 2.5794547
• Molar Refractivity: 44.3628 cm^3
• Polarizability: 17.407675 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): C5H3ClINO

DETAILS

Sigma Aldrich - ADE000152

Other Notes
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