4-amino-3,5-dichloro-6-hydrazinylpyridine-2-carbohydrazide

• ChemBase ID: 231430
• Molecular Formular: C6H8Cl2N6O
• Molecular Mass: 251.07332
• Monoisotopic Mass: 250.01366427
• SMILES: c1(nc(c(c(c1Cl)N)Cl)NN)C(=O)NN
• Canonical SMILES: NNC(=O)c1nc(NN)c(c(c1Cl)N)Cl
• InChI: InChI=1S/C6H8Cl2N6O/c7-1-3(9)2(8)5(13-10)12-4(1)6(15)14-11/h10-11H2,(H,14,15)(H3,9,12,13)
• InChIKey: OYMSCOCLSBFFSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-3,5-dichloro-6-hydrazinylpyridine-2-carbohydrazide
• IUPAC Traditional name: 4-amino-3,5-dichloro-6-hydrazinylpyridine-2-carbohydrazide
• Synonyms: 4-Amino-3,5-dichloro-6-hydrazino-pyridine-2-carboxylic acid hydrazide

Database IDs

• MDL Number: MFCD03969502
• PubChem SID: 164287340
• PubChem CID: 2400858

CALCULATED PROPERTIES

• Acid pKa: 12.801888
• H Acceptors: 6
• H Donor: 5
• LogD (pH = 5.5): 0.058442477
• LogD (pH = 7.4): 0.060781218
• Log P: 0.060851853
• Molar Refractivity: 61.4218 cm^3
• Polarizability: 21.445278 Å^3
• Polar Surface Area: 132.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.184

Product Information

• Purity: 95%