4-Pyridinecarboxylic acid, (1-carboxyethylidene)hydrazide

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for 4-Pyridinecarboxylic acid, (1-carboxyethylidene)hydrazide are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the 4-Pyridinecarboxylic acid, (1-carboxyethylidene)hydrazide?

The molecule 4-Pyridinecarboxylic acid, (1-carboxyethylidene)hydrazide presents a molecular formula of C9H9N3O3 and its IUPAC name is (2E)-2-(pyridine-4-carbonylhydrazinylidene)propanoic acid.

4-Pyridinecarboxylic acid, (1-carboxyethylidene)hydrazide is a molecule with the chemical formula C7H9N2O2. It is a white solid that is soluble in water and polar organic solvents. It is used as a reagent in organic synthesis..

3D structure

Cartesian coordinates

Geometry of 4-Pyridinecarboxylic acid, (1-carboxyethylidene)hydrazide in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing


4-Pyridinecarboxylic acid, (1-carboxyethylidene)hydrazide ZGGPNDKKJIWQJU-IZZDOVSWSA-N chemical compound 2D structure molecule svg
4-Pyridinecarboxylic acid, (1-carboxyethylidene)hydrazide


Molecule descriptors

IUPAC name(2E)-2-(pyridine-4-carbonylhydrazinylidene)propanoic acid
InChI codeInChI=1S/C9H9N3O3/c1-6(9(14)15)11-12-8(13)7-2-4-10-5-3-7/h2-5H,1H3,(H,12,13)(H,14,15)/b11-6+

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

  • (2E)-2-{[(pyridin-4-yl)formamido]imino}propanoic acid
  • (E)-2-(2-isonicotinoylhydrazono)propanoic acid
  • 1081-50-1
  • 2-(2-Isonicotinoylhydrazono)propanoic acid
  • 2-(Isonicotinoylhydrazono)propanoic acid
  • 4-Pyridinecarboxylic acid, (1-carboxyethylidene)hydrazide
  • 4-Pyridinecarboxylic acid, (2E)-(1-carboxyethylidene)hydrazide
  • 864363-27-9
  • C6T0N71L4V
  • Isoniazid pyruvate
  • Isoniazid pyruvate, (E)-
  • LS-11508
  • Pyruvic Acid Isoniazid
  • starbld0021290

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • UNII-C6T0N71L4V
  • AKOS003000520
  • ALBB-031657
  • CHEMBL2111041
  • CHEBI:80618

Physico-Chemical properties

IUPAC name(2E)-2-(pyridine-4-carbonylhydrazinylidene)propanoic acid
Molecular formulaC9H9N3O3
Molecular weight207.186
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity52.30
Topological polar surface area91.7

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.