4-Vinylpyridine styrene

CAS 26222-40-2  ·  C15H15N  ·  MW 209.29 g/mol

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3D model 4-Vinylpyridine styrene, CAS 26222-40-2, molecular formula C15H15N, molar mass 209.29 g/mol
About 4-Vinylpyridine styrene

4-Vinylpyridine styrene is a chemical compound registered under number CAS 26222-40-2, with the molecular formula C15H15N, and a molar mass of 209.29 g/mol.

The molecule contains 31 atoms connected by 31 chemical bonds. The full systematic IUPAC name of this compound is 4-ethenylpyridine;styrene. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, polar surface area PSA = 12.9 Ų, 0 donors and 1 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC15H15N
Molar mass209.29 g/mol
IUPAC4-ethenylpyridine;styrene
SMILESC=CC1=CC=CC=C1.C=CC1=CC=NC=C1
InChIKeyCIPXQVPZUWMSQE-UHFFFAOYSA-N
logP (XLogP3)—
PSA12.9 Ų
HBD / HBA0 / 1
PubChem CIDCID 12666455 ↗
Scientific literature

Brak articles naukowych dla CAS 26222-40-2 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
4-vinylpyridine styrene · Styrene 4-vinylpyridine · SCHEMBL2956365 · 4-Vinylpyridine compound with styrene (1:1) · 26222-40-2
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 2 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/12666455
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
4-Vinylpyridine styrene (CAS 26222-40-2), C15H15N - 3D ball-and-stick molecular model, engraved element symbols (C H N), MolGod STL previewDownload image

MG-STL-26222-40-2-ENGRAVED · 398,318 △ · 19 MB · SHA-256 8c62db5384f51024

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4-Vinylpyridine styrene (CAS 26222-40-2), C15H15N - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-26222-40-2-NORMAL · 13,664 △ · 667 KB · SHA-256 43c4a77f323c0cfb

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Model
4-Vinylpyridine styrene · 26222-40-2
InChIKey
CIPXQVPZUWMSQE-UHFFFAOYSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — 4-Vinylpyridine styrene (CAS 26222-40-2)
License & provenance record
4-Vinylpyridine styrene (CAS 26222-40-2) →
MolGod molecule record
4-Vinylpyridine styrene →
Source data
PubChem CID 12666455 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
43c4a77f323c0cfb1fde4c98ee9fea1a46a8a428d1e01413291f5414b359eff9
MD5 (STL)
820f37b8a4b23e6659d7636d6acdd524
Model identifier
MG-STL-26222-40-2
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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