Download Structure Data File(SDF/Mol File) of 4-Pentylpyridine (C10H15N)

Identification of 4-Pentylpyridine Chemical Compound

2D chemical structure image of 4-Pentylpyridine
Chemical Formula C10H15N
Molecular Weight 149.2328 g/mol
IUPAC Name 4-pentylpyridine
SMILES String CCCCCc1ccncc1
InChI InChI=1S/C10H15N/c1-2-3-4-5-10-6-8-11-9-7-10/h6-9H,2-5H2,1H3
InChIKey ABJVUPUJUGBUMM-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 4-Pentylpyridine 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 4-Pentylpyridine 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 4-Pentylpyridine
Ball-and-stick model of 4-Pentylpyridine

Additional Information for Identifying 4-Pentylpyridine Molecule

  • Chemical structure of 4-Pentylpyridine

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 4-Pentylpyridine is available in chemical structure page of 4-Pentylpyridine, 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-Pentylpyridine

    The molecular weight of 4-Pentylpyridine is available in molecular weight page of 4-Pentylpyridine, 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-Pentylpyridine

    The chemical formula of 4-Pentylpyridine is given in chemical formula page of 4-Pentylpyridine, 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-Pentylpyridine

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of 4-Pentylpyridine is:

    InChI=1S/C10H15N/c1-2-3-4-5-10-6-8-11-9-7-10/h6-9H,2-5H2,1H3

    It can provide a standard way to encode the molecular information of 4-Pentylpyridine 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-Pentylpyridine is:

    InChIKey=ABJVUPUJUGBUMM-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for 4-Pentylpyridine, but it needs to be linked to the full InChI to get back to the original structure of the 4-Pentylpyridine since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 4-Pentylpyridine

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

    • 4-Pentylpyridine
    • 4-Amylpyridine
    • 2961-50-4
    • Pyridine, 4-pentyl-
    • P-AMYLPYRIDINE
    • 1-(4-Pyridyl)pentane
    • 4-n-Pentylpyridine
    • 4-N-AMYLPYRIDINE
    • 4-pentyl-pyridine
    • ANW-26661
    • MFCD02093422
    • AR-1G0983

4-Pentylpyridine Identification Summary Frequently Asked Questions (FAQs)

  • What’s the 4-Pentylpyridine formula?

    C10H15N
  • How many atoms and what elements are included in the 4-Pentylpyridine molecule?

    26 atom(s) – 15 Hydrogen atom(s), 10 Carbon atom(s) and 1 Nitrogen atom(s)
  • How many chemical bonds and what kind of bonds are in the 4-Pentylpyridine structure?

    26 bond(s) – 11 non-H bond(s), 6 multiple bond(s), 4 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s) and 1 Pyridine(s)
  • What’s the 4-Pentylpyridine’s molar mass?

    149.2328 g/mol
  • What’s the SMILES structure of 4-Pentylpyridine?

    CCCCCc1ccncc1
  • What’s the InChI code of 4-Pentylpyridine?

    InChI=1S/C10H15N/c1-2-3-4-5-10-6-8-11-9-7-10/h6-9H,2-5H2,1H3
  • What’s the InChIKey format of 4-Pentylpyridine?

    ABJVUPUJUGBUMM-UHFFFAOYSA-N

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