6-chloro-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide

• ChemBase ID: 86553
• Molecular Formular: C13H9Cl2N3O2
• Molecular Mass: 310.13546
• Monoisotopic Mass: 309.0071819
• SMILES: N(C(=O)c1ccccc1Cl)NC(=O)c1cnc(cc1)Cl
• Canonical SMILES: Clc1ccc(cn1)C(=O)NNC(=O)c1ccccc1Cl
• InChI: InChI=1S/C13H9Cl2N3O2/c14-10-4-2-1-3-9(10)13(20)18-17-12(19)8-5-6-11(15)16-7-8/h1-7H,(H,17,19)(H,18,20)
• InChIKey: XQIIENIVDJCCDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide
• IUPAC Traditional name: 6-chloro-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide
• Synonyms: 2-chloro-N'-[(6-chloropyridin-3-yl)carbonyl]benzohydrazide

Database IDs

• MDL Number: MFCD00208055
• PubChem SID: 162073669
• PubChem CID: 2799353

CALCULATED PROPERTIES

• Acid pKa: 12.275137
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2992046
• LogD (pH = 7.4): 2.2992
• Log P: 2.2992053
• Molar Refractivity: 77.1868 cm^3
• Polarizability: 28.629917 Å^3
• Polar Surface Area: 71.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true