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2,2′-Bipyridine N,N′-Dioxide
CAS: 7275-43-6 | C10H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7275-43-6
Molecular Formula:
C10H8N2O2
Molecular Mass:
188.19 g/mol
Names and Synonyms:
2,2′-Bipyridine N,N′-Dioxide
2,2′-Bipyridyl N,N′-dioxide
2,2′-Bipyridine di-N-oxide
NSC 351883
2-(1-Oxidopyridin-1-ium-2-yl)pyridin-1-ium-1-olate
2,2′-Bipyridine, 1,1′-dioxide
2,2′-Bipyridine N,N′-dioxide
2,2′-Dipyridyl N,N′-dioxide
2,2′-Dipyridyl dioxide
2,2′-Bipyridyl-1,1′-di-N-oxide
Identifiers:
SMILES:
O=[N+]1C=CC=CC1=C1C=CC=CN1[O-]
InChI:
InChI=1S/C10H8N2O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
Key Properties
Melting Point
307-309 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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 | 188.19 g/mol | CAS Common Chemistry |
| 188.186 g/mol | RDKit | |
| 188.058577496 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 |
| LogP | 1.9437 | RDKit |
| Molar Refractivity | 52.4194 | RDKit |
