2,6-dichloro-N'-(2,6-dichlorophenyl)pyridine-4-carbohydrazide

• ChemBase ID: 86430
• Molecular Formular: C12H7Cl4N3O
• Molecular Mass: 351.01548
• Monoisotopic Mass: 348.93432258
• SMILES: n1c(cc(cc1Cl)C(=O)NNc1c(cccc1Cl)Cl)Cl
• Canonical SMILES: Clc1nc(Cl)cc(c1)C(=O)NNc1c(Cl)cccc1Cl
• InChI: InChI=1S/C12H7Cl4N3O/c13-7-2-1-3-8(14)11(7)18-19-12(20)6-4-9(15)17-10(16)5-6/h1-5,18H,(H,19,20)
• InChIKey: TUYFIOUGZIAYMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-N'-(2,6-dichlorophenyl)pyridine-4-carbohydrazide
• IUPAC Traditional name: 2,6-dichloro-N'-(2,6-dichlorophenyl)pyridine-4-carbohydrazide
• Synonyms: N'4-(2,6-dichlorophenyl)-2,6-dichloropyridine-4-carbohydrazide

Database IDs

• MDL Number: MFCD00177204
• PubChem SID: 162073546
• PubChem CID: 2798876

CALCULATED PROPERTIES

• Acid pKa: 12.311097
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.56495
• LogD (pH = 7.4): 4.564945
• Log P: 4.56495
• Molar Refractivity: 84.0019 cm^3
• Polarizability: 30.826809 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true