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2,2′-(1,2-Ethenediyl)Bis[Pyridine]
CAS: 1437-15-6 | C12H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1437-15-6
Molecular Formula:
C12H10N2
Molecular Mass:
182.23 g/mol
Names and Synonyms:
2,2′-(1,2-Ethenediyl)Bis[Pyridine]
Pyridine, 2,2′-(1,2-ethenediyl)bis-
Pyridine, 2,2′-vinylenedi-
2,2′-(1,2-Ethenediyl)bis[pyridine]
1,2-Bis(2-pyridyl)ethylene
1,2-Bis(2-pyridyl)ethene
1,2-Di-2-pyridylethene
NSC 9489
Identifiers:
SMILES:
C(=Cc1ccccn1)c1ccccn1
InChI:
InChI=1S/C12H10N2/c1-3-9-13-11(5-1)7-8-12-6-2-4-10-14-12/h1-10H
Key Properties
Boiling Point
150-160 °C
CAS Common Chemistry
Melting Point
118-119 °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 | 182.23 g/mol | CAS Common Chemistry |
| 182.226 g/mol | RDKit | |
| 182.08439832 g/mol | RDKit | |
| Boiling Point | 150-160 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC=CC1C=CC2=NC=CC=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10N2/c1-3-9-13-11(5-1)7-8-12-6-2-4-10-14-12/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=HKEOCEQLCZEBMK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 118-119 °C | CAS Common Chemistry |
| Name | 2,2′-(1,2-Ethenediyl)bis[pyridine] | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 25.78 Ų | RDKit |
| LogP | 2.6470000000000002 | RDKit |
| Molar Refractivity | 57.40200000000003 | RDKit |
