N'-(5-nitrofurfurylidene)isonicotinehydrazide | 156-47-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N'-(5-nitrofurfurylidene)isonicotinehydrazide
• 英文别名: isonicotinic acid-(5-nitro-furfurylidenehydrazide)；Isonicotinsaeure-(5-nitro-furfurylidenhydrazid)；Isonicotinsaeure-<2-(5-nitro-furfur-2-yliden)-hydrazid>；5-Nitro-furfural-isonicotinoylhydrazon；5-Nitro-furfurol-isonicotinoylhydrazon；N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridine-4-carboxamide
• CAS: 156-47-8
• 化学式: C₁₁H₈N₄O₄
• 分子量: 260.209
• InChiKey: VUUFBVKBJGFAJS-NTUHNPAUSA-N

物化性质

• 溶解度：
  37.5 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-furaldehyde isonicotinoylhydrazone 在 硝酸 、 乙酸酐 作用下， 生成 N'-(5-nitrofurfurylidene)isonicotinehydrazide
  参考文献：
  名称：

  Ivanov et al., Doklady Bolgarskoi Akademii Nauk, 1957, vol. 10, p. 313,314

  摘要：

  DOI：

文献信息

• Analogs of Nitrofuran Antibiotics to Combat Resistance
  申请人：The Trustees of Indiana University

  公开号：US20220009914A1

  公开（公告）日：2022-01-13

  Novel compounds and methods of killing or inhibiting the growth of bacteria.

  小说化合物及杀死或抑制细菌生长的方法。
• Sah; Peoples, Journal of the American Pharmaceutical Association (1912), 1954, vol. 43, p. 513,514
  作者：Sah、Peoples

  DOI：——

  日期：——
• Fenech et al., Farmaco, Edizione Scientifica, 1955, vol. 10, p. 413,423
  作者：Fenech et al.

  DOI：——

  日期：——
• The influence of the nature of the solvent on the crystal structure and the character of formation of hydrogen bonds inN?-(5-nitrofurfurylidene)isonicotinehydrazide
  作者：S. M. Aldoshin、L. A. Nikonova、E. G. Atovmyan、A. N. Utenyshev、D. B. Frolov

  DOI：10.1007/bf01430728

  日期：1996.9

  N'-(5-Nitrofurfurylidene)isonicotinehydrazide (1) was synthesized in the reaction of nicotinic acid hydrazide with 5-nitrofurfurol in anhydrous or aqueous ethanol. Crystals of different shape and color were obtained depending on the conditions of synthesis and the nature of the solvent. As was established by IR spectroscopy, compound 1 in the crystalline state forms solvates of various types. An X-ray study of two different crystals, one obtained by recrystallization from methanol (1a), and the other obtained from aqueous acetic acid (1b), was performed. In the crystal structure of 1a intermolecular hydrogen bonds (IMHB) of the NH...N(Py) type occur; the crystals 1b are built of solvates with one molecule of acetic acid in which the components are bonded by the IMHB (Ac)O-H...N(Py). The solvates are linked in an infinite chain by the amidohydrate IMHB C=O...W...H-N.
• Ivanov et al., Doklady Bolgarskoi Akademii Nauk, 1957, vol. 10, p. 313,314
  作者：Ivanov et al.

  DOI：——

  日期：——