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2-Methyl-5-Vinylpyridine
CAS: 140-76-1 | C8H9N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
140-76-1
Molecular Formula:
C8H9N
Molecular Mass:
119.17 g/mol
Names and Synonyms:
2-Methyl-5-Vinylpyridine
Pyridine, 5-ethenyl-2-methyl-
2-Picoline, 5-vinyl-
5-Ethenyl-2-methylpyridine
2-Methyl-5-vinylpyridine
5-Vinyl-2-picoline
Identifiers:
SMILES:
C=Cc1ccc(C)nc1
InChI:
InChI=1S/C8H9N/c1-3-8-5-4-7(2)9-6-8/h3-6H,1H2,2H3
Key Properties
Boiling Point
181 °C
CAS Common Chemistry
Melting Point
-12.0 °C
CAS Common Chemistry
Density
0.978-0.982 g/cm3 @ Temp: 20 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 119.17 g/mol | CAS Common Chemistry |
| 119.16699999999999 g/mol | RDKit | |
| 119.073499288 g/mol | RDKit | |
| Boiling Point | 181 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=C(C=C)C=CC1C | CAS Common Chemistry |
| Density | 0.978-0.982 g/cm3 @ Temp: 20 °C | CAS Common Chemistry |
| InChI | InChI=1S/C8H9N/c1-3-8-5-4-7(2)9-6-8/h3-6H,1H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VJOWMORERYNYON-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -12.0 °C | CAS Common Chemistry |
| Name | 2-Methyl-5-vinylpyridine | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 |
| LogP | 2.03302 | RDKit |
| Molar Refractivity | 39.06500000000001 | RDKit |
