2,5-dichloro-N'-phenylpyridine-3-carbohydrazide

• ChemBase ID: 86847
• Molecular Formular: C12H9Cl2N3O
• Molecular Mass: 282.12536
• Monoisotopic Mass: 281.01226728
• SMILES: n1c(c(cc(c1)Cl)C(=O)NNc1ccccc1)Cl
• Canonical SMILES: Clc1cnc(c(c1)C(=O)NNc1ccccc1)Cl
• InChI: InChI=1S/C12H9Cl2N3O/c13-8-6-10(11(14)15-7-8)12(18)17-16-9-4-2-1-3-5-9/h1-7,16H,(H,17,18)
• InChIKey: PXBNARYNQKCXSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloro-N'-phenylpyridine-3-carbohydrazide
• IUPAC Traditional name: 2,5-dichloro-N'-phenylpyridine-3-carbohydrazide
• Synonyms: N'3-phenyl-2,5-dichloropyridine-3-carbohydrazide

Database IDs

• MDL Number: MFCD00833281
• PubChem SID: 162073963
• PubChem CID: 2800447

CALCULATED PROPERTIES

• Acid pKa: 11.406898
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.1366827
• LogD (pH = 7.4): 3.1366453
• Log P: 3.1366832
• Molar Refractivity: 73.331 cm^3
• Polarizability: 26.889664 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true