2,6-diiodopyridin-3-ol

• ChemBase ID: 32954
• Molecular Formular: C5H3I2NO
• Molecular Mass: 346.89236
• Monoisotopic Mass: 346.83040972
• SMILES: c1c(nc(c(c1)O)I)I
• Canonical SMILES: Ic1ccc(c(n1)I)O
• InChI: InChI=1S/C5H3I2NO/c6-4-2-1-3(9)5(7)8-4/h1-2,9H
• InChIKey: ZDOQSPXMJKWUIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-diiodopyridin-3-ol
• IUPAC Traditional name: 2,6-diiodopyridin-3-ol
• Synonyms: 2,6-diiodo-3-pyridinol; 2,6-Diiodopyridin-3-ol

Database IDs

• CAS Number: 14764-90-0
• MDL Number: MFCD03265756
• PubChem SID: 160996261
• PubChem CID: 2784731

CALCULATED PROPERTIES

• Acid pKa: 7.104743
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3646462
• LogD (pH = 7.4): 1.9198947
• Log P: 2.3750722
• Molar Refractivity: 52.0232 cm^3
• Polarizability: 21.108349 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 202 - 204 °C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 97%