SDF/Mol File of 4-[(1S)-1-nitroethyl]pyridine (C7H8N2O2)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying 4-[(1S)-1-nitroethyl]pyridine Molecule

• Chemical structure of 4-[(1S)-1-nitroethyl]pyridine

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 4-[(1S)-1-nitroethyl]pyridine is available in chemical structure page of 4-[(1S)-1-nitroethyl]pyridine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of 4-[(1S)-1-nitroethyl]pyridine

  The molecular weight of 4-[(1S)-1-nitroethyl]pyridine is available in molecular weight page of 4-[(1S)-1-nitroethyl]pyridine, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of 4-[(1S)-1-nitroethyl]pyridine

  The chemical formula of 4-[(1S)-1-nitroethyl]pyridine is given in chemical formula page of 4-[(1S)-1-nitroethyl]pyridine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of 4-[(1S)-1-nitroethyl]pyridine

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of 4-[(1S)-1-nitroethyl]pyridine is:

  InChI=1S/C7H8N2O2/c1-6(9(10)11)7-2-4-8-5-3-7/h2-6H,1H3/t6-/m0/s1

  It can provide a standard way to encode the molecular information of 4-[(1S)-1-nitroethyl]pyridine to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 4-[(1S)-1-nitroethyl]pyridine is:

  InChIKey=DGKBEXZZKREYOC-LURJTMIESA-N

  The InChIKey may allow easier web searches for 4-[(1S)-1-nitroethyl]pyridine, but it needs to be linked to the full InChI to get back to the original structure of the 4-[(1S)-1-nitroethyl]pyridine since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 4-[(1S)-1-nitroethyl]pyridine

  The 4-[(1S)-1-nitroethyl]pyridine compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 4-[(1S)-1-nitroethyl]pyridine including the registry numbers are listed below, if available:

  
  
  None available.

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4-[(1S)-1-nitroethyl]pyridine Identification Summary Frequently Asked Questions (FAQs)

What’s the 4-[(1S)-1-nitroethyl]pyridine formula?
C7H8N2O2
How many atoms and what elements are included in the 4-[(1S)-1-nitroethyl]pyridine molecule?
19 atom(s) - 8 Hydrogen atom(s), 7 Carbon atom(s), 2 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the 4-[(1S)-1-nitroethyl]pyridine structure?
19 bond(s) - 11 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 nitro group(s) (aliphatic), and 1 Pyridine(s)
What’s the 4-[(1S)-1-nitroethyl]pyridine’s molar mass?
152.15062 g/mol
What’s the SMILES structure of 4-[(1S)-1-nitroethyl]pyridine?
CC([N+]([O-])=O)c1ccncc1
What’s the InChI code of 4-[(1S)-1-nitroethyl]pyridine?
InChI=1S/C7H8N2O2/c1-6(9(10)11)7-2-4-8-5-3-7/h2-6H,1H3/t6-/m0/s1
What’s the InChIKey format of 4-[(1S)-1-nitroethyl]pyridine?
DGKBEXZZKREYOC-LURJTMIESA-N

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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).