2-chloro-4,6-diiodopyridin-3-ol

• ChemBase ID: 43792
• Molecular Formular: C5H2ClI2NO
• Molecular Mass: 381.33742
• Monoisotopic Mass: 380.79143737
• SMILES: n1c(c(c(cc1I)I)O)Cl
• Canonical SMILES: Ic1cc(I)c(c(n1)Cl)O
• InChI: InChI=1S/C5H2ClI2NO/c6-5-4(10)2(7)1-3(8)9-5/h1,10H
• InChIKey: FENUVBOVGRYYOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4,6-diiodopyridin-3-ol
• IUPAC Traditional name: 2-chloro-4,6-diiodopyridin-3-ol
• Synonyms: 2-Chloro-4,6-diiodo-3-pyridinol

Database IDs

• MDL Number: MFCD12498699
• PubChem SID: 162048555
• PubChem CID: 45588286

CALCULATED PROPERTIES

• Acid pKa: 5.7977767
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9948692
• LogD (pH = 7.4): 1.8510693
• Log P: 3.1667066
• Molar Refractivity: 58.1812 cm^3
• Polarizability: 23.122377 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 143 - 145 °C; 143-145°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%