3-chloro-5-iodopyridin-2-ol

• ChemBase ID: 53941
• Molecular Formular: C5H3ClINO
• Molecular Mass: 255.44089
• Monoisotopic Mass: 254.8947894
• SMILES: c1(cnc(c(c1)Cl)O)I
• Canonical SMILES: Ic1cnc(c(c1)Cl)O
• InChI: InChI=1S/C5H3ClINO/c6-4-1-3(7)2-8-5(4)9/h1-2H,(H,8,9)
• InChIKey: LZNQZDFOAHWVPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11227187
• PubChem SID: 162058704
• PubChem CID: 20397474

CALCULATED PROPERTIES

• Acid pKa: 9.40561
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5794013
• LogD (pH = 7.4): 2.5752466
• Log P: 2.5794547
• Molar Refractivity: 44.3628 cm^3
• Polarizability: 17.419651 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: 95+%