2-Nitroisonicotinohydrazide
[CAS# 58481-05-3]

Identification

• Name: 2-Nitroisonicotinohydrazide
• Synonyms: 2-Nitroisonicotinic acid hydrazide; 2-nitroisonicotinohydrazide; Isoniazid analog
• Molecular Formula: C₆H₆N₄O₃
• Molecular Weight: 182.14
• CAS Registry Number: 58481-05-3
• SMILES: O=[N+]([O-])c1nccc(C(=O)NN)c1
• InChI: 1S/C6H6N4O3/c7-9-6(11)4-1-2-8-5(3-4)10(12)13/h1-3H,7H2,(H,9,11)
• InChIKey: AEVNJSOYFOFWDU-UHFFFAOYSA-N

Properties

• Density: 1.493g/cm³ (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370