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Molecule
2,2′-Bipyridine N,N′-Dioxide
CAS: 7275-43-6 · C10H8N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7275-43-6
- Molecular Formula
- C10H8N2O2
- Molecular Mass
- 188.19 g/mol
Identifiers
CAS Registry Number
7275-43-6
SMILES
O=[N+]1C=CC=CC1=C1C=CC=CN1[O-]
InChI Key
FERMVCULDZOVOJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N2O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
Names and Synonyms
- 2,2′-Bipyridine N,N′-Dioxide Synonym
- 2,2′-Bipyridyl N,N′-dioxide Synonym
- 2,2′-Bipyridine di-N-oxide Synonym
- NSC 351883 Synonym
- 2-(1-Oxidopyridin-1-ium-2-yl)pyridin-1-ium-1-olate Synonym
- 2,2′-Bipyridine, 1,1′-dioxide Synonym
- 2,2′-Bipyridine N,N′-dioxide Synonym
- 2,2′-Dipyridyl N,N′-dioxide Synonym
- 2,2′-Dipyridyl dioxide Synonym
- 2,2′-Bipyridyl-1,1′-di-N-oxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 188.19 g/mol | CAS Common Chemistry |
| 188.186 g/mol | RDKit | |
| Canonical SMILES | O=N=1C=CC=CC1C=2C=CC=CN2=O | CAS Common Chemistry |
| InChI | InChI=1S/C10H8N2O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=FERMVCULDZOVOJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 307-309 °C | CAS Common Chemistry |
| Name | 2,2′-Bipyridine N,N′-dioxide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.379999999999995 Ų | RDKit |
| 46.38 Ų | RDKit | |
| LogP | 1.9437 | RDKit |
| Molar Refractivity | 52.4194 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 188.058577496 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 = 188.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H8N2O2.
