Download Structure Data File(SDF/Mol File) 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

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 2-Butylpyridine is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of 2-Butylpyridine molecule. It starts with a header block, followed by "connection table“, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

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

Additional Information for Identifying 2-Butylpyridine Molecule

  • Chemical structure of 2-Butylpyridine

    By visualizing the structure data file (SDF/MOL File) above, 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 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 masses of each constituent element multiplied by the number of atoms of that element.

  • Chemical formula of 2-Butylpyridine

    The chemical formula of 2-Butylpyridine is given in chemical formula page of 2-Butylpyridine, 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 2-Butylpyridine

    An alternative way of expressing structural information in text format 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 be named differently depending on the various situations of industrial applications. Other names (synonyms) of 2-Butylpyridine including the registry numbers are listed below, if available:

    • 2-Butylpyridine
    • 5058-19-5
    • Pyridine, 2-butyl-
    • 2-Butyl-pyridine
    • W-105948
    • 2- Butylpyridine
    • 54XCM5F4F7
    • S413
    • I02-0414
    • J-514860
    • AR-1D9884

2-Butylpyridine Identification Summary Frequently Asked Questions (FAQs)

  • What’s the 2-Butylpyridine formula?

    C9H13N
  • How many atoms and what elements are included in the 2-Butylpyridine molecule?

    23 atom(s) – 13 Hydrogen atom(s), 9 Carbon atom(s) and 1 Nitrogen atom(s)
  • How many chemical bonds and what kind of bonds are 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 2-Butylpyridine’s molar mass?

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

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

    ADSOSINJPNKUJK-UHFFFAOYSA-N

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