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2,2′-Pyridil
CAS: 492-73-9 | C12H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
492-73-9
Molecular Formula:
C12H8N2O2
Molecular Mass:
212.21 g/mol
Names and Synonyms:
2,2′-Pyridil
1,2-Ethanedione, 1,2-di-2-pyridinyl-
Glyoxal, di-2-pyridyl-
Ethanedione, di-2-pyridinyl-
1,2-Di-2-pyridinyl-1,2-ethanedione
Bipicolinoyl
Di-2-pyridylglyoxal
α-Pyridil
2,2′-Pyridil
Bis(2-pyridyl)ethanedione
2,2′-Dipyridylglyoxal
Di-2-pyridyldiketone
1,2-Bis(2-pyridyl)-1,2-ethanedione
NSC 16545
1,2-Bis(2-pyridinyl)-1,2-ethanedione
1,2-Di(pyridin-2-yl)ethane-1,2-dione
Identifiers:
SMILES:
O=C(C(=O)c1ccccn1)c1ccccn1
InChI:
InChI=1S/C12H8N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8H
Key Properties
Melting Point
155 °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 | 212.21 g/mol | CAS Common Chemistry |
| 212.208 g/mol | RDKit | |
| 212.058577496 g/mol | RDKit | |
| Canonical SMILES | O=C(C1=NC=CC=C1)C(=O)C2=NC=CC=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H8N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=PIINXYKJQGMIOZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 155 °C | CAS Common Chemistry |
| Name | 2,2′-Pyridil | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 59.92 Ų | RDKit |
| LogP | 1.5422 | RDKit |
| Molar Refractivity | 57.135000000000026 | RDKit |
