N'-(6-chloropyridazin-3-yl)benzohydrazide

• ChemBase ID: 84561
• Molecular Formular: C11H9ClN4O
• Molecular Mass: 248.66836
• Monoisotopic Mass: 248.04648861
• SMILES: n1c(ccc(n1)Cl)NNC(=O)c1ccccc1
• Canonical SMILES: Clc1ccc(nn1)NNC(=O)c1ccccc1
• InChI: InChI=1S/C11H9ClN4O/c12-9-6-7-10(14-13-9)15-16-11(17)8-4-2-1-3-5-8/h1-7H,(H,14,15)(H,16,17)
• InChIKey: UMCXKZPSQMSKAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(6-chloropyridazin-3-yl)benzohydrazide
• IUPAC Traditional name: N'-(6-chloropyridazin-3-yl)benzohydrazide
• Synonyms: N'1-(6-chloropyridazin-3-yl)benzene-1-carbohydrazide

Database IDs

• MDL Number: MFCD00102731
• PubChem SID: 162071677
• PubChem CID: 6401180

CALCULATED PROPERTIES

• Acid pKa: 11.222393
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.1473196
• LogD (pH = 7.4): 2.1472683
• Log P: 2.1473262
• Molar Refractivity: 68.703 cm^3
• Polarizability: 24.094646 Å^3
• Polar Surface Area: 66.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true