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Molecule
2,2′-(1,2-Ethenediyl)Bis[Pyridine]
CAS: 1437-15-6 · C12H10N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1437-15-6
- Molecular Formula
- C12H10N2
- Molecular Mass
- 182.23 g/mol
Identifiers
CAS Registry Number
1437-15-6
SMILES
C(=Cc1ccccn1)c1ccccn1
InChI Key
HKEOCEQLCZEBMK-UHFFFAOYSA-N
InChI
InChI=1S/C12H10N2/c1-3-9-13-11(5-1)7-8-12-6-2-4-10-14-12/h1-10H
Names and Synonyms
- 2,2′-(1,2-Ethenediyl)Bis[Pyridine] Systematic Name
- 2,2′-(1,2-Ethenediyl)bis[pyridine] Synonym
- Pyridine, 2,2′-(1,2-ethenediyl)bis- Synonym
- Pyridine, 2,2′-vinylenedi- Synonym
- 1,2-Bis(2-pyridyl)ethylene Synonym
- 1,2-Bis(2-pyridyl)ethene Synonym
- 1,2-Di-2-pyridylethene Synonym
- NSC 9489 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.23 g/mol | CAS Common Chemistry |
| 182.226 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 |
| 24.72 Ų | chempirical lib | |
| LogP | 2.6470000000000002 | RDKit |
| 2.647 | RDKit | |
| Molar Refractivity | 57.40200000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 182.08439832 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
7
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5
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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.
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MW = 182.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H10N2.
