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Molecule
2,3-Dichloro-5-Nitropyridine
CAS: 22353-40-8 · C5H2Cl2N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 22353-40-8
- Molecular Formula
- C5H2Cl2N2O2
- Molecular Mass
- 192.99 g/mol
Identifiers
CAS Registry Number
22353-40-8
SMILES
O=[N+]([O-])c1cnc(Cl)c(Cl)c1
InChI Key
XLPDVAVQKGDHNO-UHFFFAOYSA-N
InChI
InChI=1S/C5H2Cl2N2O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H
Names and Synonyms
- 2,3-Dichloro-5-Nitropyridine Systematic Name
- Pyridine, 2,3-dichloro-5-nitro- Synonym
- 2,3-Dichloro-5-nitropyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 192.99 g/mol | CAS Common Chemistry |
| 192.989 g/mol | RDKit | |
| 192.983 g/mol | chempirical lib | |
| Boiling Point | 254 °C | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)C1=CN=C(Cl)C(Cl)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H2Cl2N2O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H | CAS Common Chemistry |
| InChI Key | InChIKey=XLPDVAVQKGDHNO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 107-115 °C | CAS Common Chemistry |
| Name | 2,3-Dichloro-5-nitropyridine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 56.03 Ų | RDKit |
| 50.66 Ų | chempirical lib | |
| LogP | 2.2965999999999998 | RDKit |
| 2.2966 | RDKit | |
| Molar Refractivity | 40.91140000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 191.949332664 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 192.99 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H2Cl2N2O2.
