2,6-dibromo-4-iodopyridin-3-ol

• ChemBase ID: 65727
• Molecular Formular: C5H2Br2INO
• Molecular Mass: 378.78795
• Monoisotopic Mass: 376.75478569
• SMILES: c1(nc(c(c(c1)I)O)Br)Br
• Canonical SMILES: Brc1cc(I)c(c(n1)Br)O
• InChI: InChI=1S/C5H2Br2INO/c6-3-1-2(8)4(10)5(7)9-3/h1,10H
• InChIKey: RCOZSTKGYDPHJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromo-4-iodopyridin-3-ol
• IUPAC Traditional name: 2,6-dibromo-4-iodopyridin-3-ol
• Synonyms: 2,6-Dibromo-4-iodopyridin-3-ol

Database IDs

• MDL Number: MFCD21648228
• PubChem SID: 162031466
• PubChem CID: 22046973

CALCULATED PROPERTIES

• Acid pKa: 5.762206
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.145907
• LogD (pH = 7.4): 1.9984109
• Log P: 3.3295019
• Molar Refractivity: 56.1745 cm^3
• Polarizability: 21.907238 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%