2,5-dichloro-6-iodopyridin-3-ol

• ChemBase ID: 54538
• Molecular Formular: C5H2Cl2INO
• Molecular Mass: 289.88595
• Monoisotopic Mass: 288.85581705
• SMILES: c1(c(nc(c(c1)O)Cl)I)Cl
• Canonical SMILES: Clc1nc(I)c(cc1O)Cl
• InChI: InChI=1S/C5H2Cl2INO/c6-2-1-3(10)4(7)9-5(2)8/h1,10H
• InChIKey: MQVZYFNBLGHQLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloro-6-iodopyridin-3-ol
• IUPAC Traditional name: 2,5-dichloro-6-iodopyridin-3-ol
• Synonyms: 2,5-Dichloro-6-iodopyridin-3-ol; 2,5-Dichloro-6-iodopyridin-3-ol

Database IDs

• CAS Number: 1261365-62-1
• MDL Number: MFCD18374107
• PubChem SID: 162059301
• PubChem CID: 50990638

CALCULATED PROPERTIES

• Acid pKa: 6.157307
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7576087
• LogD (pH = 7.4): 1.7227436
• Log P: 2.8418067
• Molar Refractivity: 49.6235 cm^3
• Polarizability: 19.568308 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): C5H2Cl2INO

DETAILS

Sigma Aldrich - ADE000183

Other Notes
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