3-iodopyridin-2-ol

• ChemBase ID: 804001
• Molecular Formular: C5H4INO
• Molecular Mass: 220.99583
• Monoisotopic Mass: 220.93376175
• SMILES: n1c(c(ccc1)I)O
• Canonical SMILES: Ic1cccnc1O
• InChI: InChI=1S/C5H4INO/c6-4-2-1-3-7-5(4)8/h1-3H,(H,7,8)
• InChIKey: YEMFHJFNJPXYOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-iodopyridin-2-ol
• IUPAC Traditional name: 3-iodopyridin-2-ol
• Synonyms: 2-HYDROXY-3-IODOPYRIDINE

Database IDs

• CAS Number: 111079-46-0

CALCULATED PROPERTIES

• Acid pKa: 10.128919
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9753898
• LogD (pH = 7.4): 1.9746106
• Log P: 1.9754101
• Molar Refractivity: 39.558 cm^3
• Polarizability: 15.391612 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%