2,6-dichloro-N'-phenylpyridine-4-carbohydrazide

• ChemBase ID: 84480
• Molecular Formular: C12H9Cl2N3O
• Molecular Mass: 282.12536
• Monoisotopic Mass: 281.01226728
• SMILES: n1c(cc(cc1Cl)C(=O)NNc1ccccc1)Cl
• Canonical SMILES: Clc1nc(Cl)cc(c1)C(=O)NNc1ccccc1
• InChI: InChI=1S/C12H9Cl2N3O/c13-10-6-8(7-11(14)15-10)12(18)17-16-9-4-2-1-3-5-9/h1-7,16H,(H,17,18)
• InChIKey: SNOSJOAVOLOFAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-N'-phenylpyridine-4-carbohydrazide
• IUPAC Traditional name: 2,6-dichloro-N'-phenylpyridine-4-carbohydrazide
• Synonyms: 2,6-dichloro-N'-phenylisonicotinohydrazide

Database IDs

• MDL Number: MFCD02180561
• PubChem SID: 162071596
• PubChem CID: 2782123

CALCULATED PROPERTIES

• Acid pKa: 12.566581
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.3568604
• LogD (pH = 7.4): 3.3568578
• Log P: 3.3568604
• Molar Refractivity: 74.3923 cm^3
• Polarizability: 26.926203 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true