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

• ChemBase ID: 84486
• Molecular Formular: C12H7Cl4N3O
• Molecular Mass: 351.01548
• Monoisotopic Mass: 348.93432258
• SMILES: n1c(cc(cc1Cl)C(=O)NNc1c(cc(cc1)Cl)Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)Cl)NNC(=O)c1cc(Cl)nc(c1)Cl
• InChI: InChI=1S/C12H7Cl4N3O/c13-7-1-2-9(8(14)5-7)18-19-12(20)6-3-10(15)17-11(16)4-6/h1-5,18H,(H,19,20)
• InChIKey: LXGRKZJIJDLEQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02180564
• PubChem SID: 162071602
• PubChem CID: 2782131

CALCULATED PROPERTIES

• Acid pKa: 12.475864
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.56495
• LogD (pH = 7.4): 4.5649467
• Log P: 4.56495
• Molar Refractivity: 84.0019 cm^3
• Polarizability: 30.811228 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true