Home Chemical Formula 2-Butylpyridine

Chemical Formula of 2-Butylpyridine (C9H13N)

Identification of 2-Butylpyridine Chemical Compound

2D chemical structure image of 2-Butylpyridine
Chemical Formula C9H13N
Molecular Weight 135.20622 g/mol
IUPAC Name 2-butylpyridine
SMILES String CCCCc1ccccn1
InChI InChI=1S/C9H13N/c1-2-3-6-9-7-4-5-8-10-9/h4-5,7-8H,2-3,6H2,1H3
InChIKey ADSOSINJPNKUJK-UHFFFAOYSA-N

Chemical Formula Description

The 2-Butylpyridine molecule contains a total of 23 atom(s). There are 13 Hydrogen atom(s), 9 Carbon atom(s) and 1 Nitrogen atom(s). A chemical formula of 2-Butylpyridine can therefore be written as:

C9H13N

The chemical formula of 2-Butylpyridine shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

Ball-and-stick model of 2-Butylpyridine
Ball-and-stick model of 2-Butylpyridine

Additional Information for Identifying 2-Butylpyridine Molecule

  • Structure Data File (SDF) of 2-Butylpyridine

    The structure data file (SDF) of 2-Butylpyridine is available for download in the SDF page of 2-Butylpyridine providing the information about the atoms, bonds, connectivity and coordinates of 2-Butylpyridine, which is not completely available in the chemical formula representation. The 2-Butylpyridine structure data file can be imported to most of the cheminformatics software for further analysis and visualization.

  • Chemical structure of 2-Butylpyridine

    The chemical structure image of 2-Butylpyridine is available in chemical structure page of 2-Butylpyridine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of 2-Butylpyridine and the chemical bonds that hold the atoms together.

  • Molecular weight of 2-Butylpyridine

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

  • InChI (IUPAC International Chemical Identifier) information of 2-Butylpyridine

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of 2-Butylpyridine is:

    InChI=1S/C9H13N/c1-2-3-6-9-7-4-5-8-10-9/h4-5,7-8H,2-3,6H2,1H3

    It can provide a standard way to encode the molecular information of 2-Butylpyridine 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 2-Butylpyridine is:

    InChIKey=ADSOSINJPNKUJK-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for 2-Butylpyridine, but it needs to be linked to the full InChI to get back to the original structure of the 2-Butylpyridine since the full standard InChI cannot be reconstructed from the InChIKey.

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

    The 2-Butylpyridine compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of 2-Butylpyridine including the registry numbers is given below, if available:

    • 2-Butylpyridine
    • 5058-19-5
    • Pyridine, 2-butyl-
    • 2-Butyl-pyridine
    • W-105948
    • 2- Butylpyridine
    • 54XCM5F4F7
    • S413
    • I02-0414
    • J-514860

2-Butylpyridine Identification Summary Frequently Asked Questions (FAQs)

  • What’s the chemical formula of 2-Butylpyridine?

    C9H13N
  • How many atoms and what are they in the 2-Butylpyridine structure?

    23 atom(s) – 13 Hydrogen atom(s), 9 Carbon atom(s) and 1 Nitrogen atom(s)
  • How many chemical bonds and what are they in the 2-Butylpyridine structure?

    23 bond(s) – 10 non-H bond(s), 6 multiple bond(s), 3 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s) and 1 Pyridine(s)
  • What’s the molecular weight of 2-Butylpyridine?

    135.20622 g/mol
  • What’s the SMILES string of 2-Butylpyridine?

    CCCCc1ccccn1
  • What’s the InChI of 2-Butylpyridine?

    InChI=1S/C9H13N/c1-2-3-6-9-7-4-5-8-10-9/h4-5,7-8H,2-3,6H2,1H3
  • What’s the InChIKey of 2-Butylpyridine?

    ADSOSINJPNKUJK-UHFFFAOYSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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