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Molecule
2-Vinylpyridine
CAS: 100-69-6 · C7H7N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 100-69-6
- Molecular Formula
- C7H7N
- Molecular Mass
- 105.14 g/mol
Identifiers
CAS Registry Number
100-69-6
SMILES
C=Cc1ccccn1
InChI Key
KGIGUEBEKRSTEW-UHFFFAOYSA-N
InChI
InChI=1S/C7H7N/c1-2-7-5-3-4-6-8-7/h2-6H,1H2
Names and Synonyms
- 2-Vinylpyridine Systematic Name
- Pyridine, 2-ethenyl- Synonym
- Pyridine, 2-vinyl- Synonym
- 2-Ethenylpyridine Synonym
- 2-Vinylpyridine Synonym
- α-Vinylpyridine Synonym
- 2-Pyridylethylene Synonym
- NSC 18255 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 105.14 g/mol | CAS Common Chemistry |
| 105.13999999999999 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.9985 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Vinylpyridine | CAS Common Chemistry |
| Boiling Point | 159.5 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC=CC1C=C | CAS Common Chemistry |
| InChI | InChI=1S/C7H7N/c1-2-7-5-3-4-6-8-7/h2-6H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KGIGUEBEKRSTEW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Vinylpyridine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.89 Ų | RDKit |
| 12.36 Ų | chempirical lib | |
| LogP | 1.7246 | RDKit |
| Molar Refractivity | 34.328 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 105.057849224 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 105.14 g/mol; density = 1.000 g/mL. Edit any field — others recompute live.
