3,5-dibromo-2-hydroxybenzohydrazide

• ChemBase ID: 83884
• Molecular Formular: C7H6Br2N2O2
• Molecular Mass: 309.94274
• Monoisotopic Mass: 307.87960144
• SMILES: O=C(c1cc(cc(c1O)Br)Br)NN
• Canonical SMILES: NNC(=O)c1cc(Br)cc(c1O)Br
• InChI: InChI=1S/C7H6Br2N2O2/c8-3-1-4(7(13)11-10)6(12)5(9)2-3/h1-2,12H,10H2,(H,11,13)
• InChIKey: OYKIUUFGGBFAKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromo-2-hydroxybenzohydrazide
• IUPAC Traditional name: 3,5-dibromo-2-hydroxybenzohydrazide
• Synonyms: 3,5-dibromo-2-hydroxybenzene-1-carbohydrazide

Database IDs

• MDL Number: MFCD00017051
• PubChem SID: 162071001
• PubChem CID: 2781063

CALCULATED PROPERTIES

• Acid pKa: 6.343268
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.3532832
• LogD (pH = 7.4): 1.3580985
• Log P: 2.4113503
• Molar Refractivity: 56.847 cm^3
• Polarizability: 21.32083 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true