Structure & Deep Data of 2-Acetylpyridine semicarbazone (C8H10N4O)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 2-Acetylpyridine semicarbazone molecule contains a total of 23 bond(s). There are 13 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 urea (-thio) derivative(s), 1 hydrazone(s), and 1 Pyridine(s). Images of the chemical structure of 2-Acetylpyridine semicarbazone are given below:

The 2D chemical structure image of 2-Acetylpyridine semicarbazone is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 2-Acetylpyridine semicarbazone are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of 2-Acetylpyridine semicarbazone is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of 2-Acetylpyridine semicarbazone. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 2-Acetylpyridine semicarbazone Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 2-Acetylpyridine semicarbazone

  The SMILES string of 2-Acetylpyridine semicarbazone is CC(=NNC(N)=O)c1ccccn1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 2-Acetylpyridine semicarbazone.

• Structure Data File (SDF/MOL File) of 2-Acetylpyridine semicarbazone

  The structure data file (SDF/MOL File) of 2-Acetylpyridine semicarbazone is available for download in the SDF page of 2-Acetylpyridine semicarbazone, which provides the information about the atoms, bonds, connectivity and coordinates of 2-Acetylpyridine semicarbazone. The 2-Acetylpyridine semicarbazone structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 2-Acetylpyridine semicarbazone

  The molecular formula of 2-Acetylpyridine semicarbazone is available in chemical formula page of 2-Acetylpyridine semicarbazone, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 2-Acetylpyridine semicarbazone

  The molecular weight of 2-Acetylpyridine semicarbazone is available in molecular weight page of 2-Acetylpyridine semicarbazone, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of 2-Acetylpyridine semicarbazone

  The 2-Acetylpyridine semicarbazone compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 2-Acetylpyridine semicarbazone including the various registry numbers, if available:

  • Hydrazinecarboxamide,2-[1-(2-pyridinyl)ethylidene]-
  • (1-pyridin-2-ylethylideneamino)urea
  • 14534-93-1
  • 2-Acetylpyridine semicarbazone

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2-Acetylpyridine semicarbazone Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 2-Acetylpyridine semicarbazone?
C8H10N4O
How many atoms and what are the elements included the 2-Acetylpyridine semicarbazone molecule?
23 atom(s) - 10 Hydrogen atom(s), 8 Carbon atom(s), 4 Nitrogen atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 2-Acetylpyridine semicarbazone structure?
23 bond(s) - 13 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 urea (-thio) derivative(s), 1 hydrazone(s), and 1 Pyridine(s)
What’s the 2-Acetylpyridine semicarbazone’s molecular weight?
178.1912 g/mol
What’s the SMILES code of 2-Acetylpyridine semicarbazone?
CC(=NNC(N)=O)c1ccccn1
What’s the InChI string of 2-Acetylpyridine semicarbazone?
InChI=1S/C8H10N4O/c1-6(11-12-8(9)13)7-4-2-3-5-10-7/h2-5H,1H3,(H3,9,12,13)
What’s the InChIKey code of 2-Acetylpyridine semicarbazone?
RUXQWZJWMCHCHH-UHFFFAOYSA-N

16 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).