3,5-diiodo-6-methylpyridin-2-ol

• ChemBase ID: 71314
• Molecular Formular: C6H5I2NO
• Molecular Mass: 360.91894
• Monoisotopic Mass: 360.84605979
• SMILES: n1c(c(cc(c1C)I)I)O
• Canonical SMILES: Ic1cc(I)c(nc1C)O
• InChI: InChI=1S/C6H5I2NO/c1-3-4(7)2-5(8)6(10)9-3/h2H,1H3,(H,9,10)
• InChIKey: SWTNOEZVLBPWNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-diiodo-6-methylpyridin-2-ol
• IUPAC Traditional name: 3,5-diiodo-6-methylpyridin-2-ol
• Synonyms: 3,5-Diiodo-6-methylpyridin-2-ol

Database IDs

• CAS Number: 858851-91-9
• MDL Number: MFCD11100951
• PubChem SID: 162036904
• PubChem CID: 22181678

CALCULATED PROPERTIES

• Acid pKa: 9.912955
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0357068
• LogD (pH = 7.4): 3.034411
• Log P: 3.0357246
• Molar Refractivity: 57.512 cm^3
• Polarizability: 22.66318 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT