N'-(2,6-dichloropyridine-4-carbonyl)-3-phenylprop-2-enehydrazide

• ChemBase ID: 81476
• Molecular Formular: C15H11Cl2N3O2
• Molecular Mass: 336.17274
• Monoisotopic Mass: 335.02283197
• SMILES: n1c(cc(cc1Cl)C(=O)NNC(=O)/C=C/c1ccccc1)Cl
• Canonical SMILES: O=C(/C=C/c1ccccc1)NNC(=O)c1cc(Cl)nc(c1)Cl
• InChI: InChI=1S/C15H11Cl2N3O2/c16-12-8-11(9-13(17)18-12)15(22)20-19-14(21)7-6-10-4-2-1-3-5-10/h1-9H,(H,19,21)(H,20,22)
• InChIKey: AKLLUOQKQJKCSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(2,6-dichloropyridine-4-carbonyl)-3-phenylprop-2-enehydrazide
• IUPAC Traditional name: N'-(2,6-dichloropyridine-4-carbonyl)-3-phenylprop-2-enehydrazide
• Synonyms: N'4-cinnamoyl-2,6-dichloro-4-pyridinecarbohydrazide

Database IDs

• MDL Number: MFCD01312298
• PubChem SID: 162068595
• PubChem CID: 5708817

CALCULATED PROPERTIES

• Acid pKa: 8.433343
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.0241916
• LogD (pH = 7.4): 2.9907374
• Log P: 3.02464
• Molar Refractivity: 87.9938 cm^3
• Polarizability: 32.35814 Å^3
• Polar Surface Area: 71.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true