2,6-dichloro-4-[phenyl(2-phenylhydrazin-1-ylidene)methyl]pyridine

• ChemBase ID: 81059
• Molecular Formular: C18H13Cl2N3
• Molecular Mass: 342.22192
• Monoisotopic Mass: 341.04865279
• SMILES: N(=C(\c1cc(nc(c1)Cl)Cl)/c1ccccc1)/Nc1ccccc1
• Canonical SMILES: Clc1nc(Cl)cc(c1)/C(=N/Nc1ccccc1)/c1ccccc1
• InChI: InChI=1S/C18H13Cl2N3/c19-16-11-14(12-17(20)21-16)18(13-7-3-1-4-8-13)23-22-15-9-5-2-6-10-15/h1-12,22H
• InChIKey: ZKCKLQKTJRPURN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-4-[phenyl(2-phenylhydrazin-1-ylidene)methyl]pyridine
• IUPAC Traditional name: 2,6-dichloro-4-[phenyl(2-phenylhydrazin-1-ylidene)methyl]pyridine
• Synonyms: (2,6-dichloro-4-pyridyl)(phenyl)methanone phenylhydrazone

Database IDs

• MDL Number: MFCD00206210
• PubChem SID: 162068178
• PubChem CID: 5708754

CALCULATED PROPERTIES

• Acid pKa: 16.939112
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.969504
• LogD (pH = 7.4): 5.9778824
• Log P: 5.978235
• Molar Refractivity: 97.9465 cm^3
• Polarizability: 36.154186 Å^3
• Polar Surface Area: 37.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false