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Molecule
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
Identifiers
CAS Registry Number
492-73-9
SMILES
O=C(C(=O)c1ccccn1)c1ccccn1
InChI Key
PIINXYKJQGMIOZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H8N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8H
Names and Synonyms
- 2,2′-Pyridil Systematic Name
- 1,2-Ethanedione, 1,2-di-2-pyridinyl- Synonym
- Glyoxal, di-2-pyridyl- Synonym
- Ethanedione, di-2-pyridinyl- Synonym
- 1,2-Di-2-pyridinyl-1,2-ethanedione Synonym
- Bipicolinoyl Synonym
- Di-2-pyridylglyoxal Synonym
- α-Pyridil Synonym
- 2,2′-Pyridil Synonym
- Bis(2-pyridyl)ethanedione Synonym
- 2,2′-Dipyridylglyoxal Synonym
- Di-2-pyridyldiketone Synonym
- 1,2-Bis(2-pyridyl)-1,2-ethanedione Synonym
- NSC 16545 Synonym
- 1,2-Bis(2-pyridinyl)-1,2-ethanedione Synonym
- 1,2-Di(pyridin-2-yl)ethane-1,2-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 212.21 g/mol | CAS Common Chemistry |
| 212.208 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 |
| 58.86 Ų | chempirical lib | |
| LogP | 1.5422 | RDKit |
| Molar Refractivity | 57.135000000000026 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 212.058577496 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 212.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H8N2O2.
