2,5-diiodobenzohydrazide

• ChemBase ID: 52386
• Molecular Formular: C7H6I2N2O
• Molecular Mass: 387.94428
• Monoisotopic Mass: 387.85695882
• SMILES: C(=O)(c1c(ccc(c1)I)I)NN
• Canonical SMILES: NNC(=O)c1cc(I)ccc1I
• InChI: InChI=1S/C7H6I2N2O/c8-4-1-2-6(9)5(3-4)7(12)11-10/h1-3H,10H2,(H,11,12)
• InChIKey: CUXZXUZSAXIDNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-diiodobenzohydrazide
• IUPAC Traditional name: 2,5-diiodobenzohydrazide
• Synonyms: 2,5-Diiodobenzhydrazide

Database IDs

• MDL Number: MFCD03425684
• PubChem SID: 162057149
• PubChem CID: 4034325

CALCULATED PROPERTIES

• Acid pKa: 12.732252
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3845432
• LogD (pH = 7.4): 2.385288
• Log P: 2.3852994
• Molar Refractivity: 66.3455 cm^3
• Polarizability: 25.359018 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 215-217°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false