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2,3-Dibromo-5-Chloropyridine
CAS: 137628-17-2 | C5H2Br2ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
137628-17-2
Molecular Formula:
C5H2Br2ClN
Molecular Mass:
271.34 g/mol
Names and Synonyms:
2,3-Dibromo-5-Chloropyridine
Pyridine, 2,3-dibromo-5-chloro-
2,3-Dibromo-5-chloropyridine
Identifiers:
SMILES:
Clc1cnc(Br)c(Br)c1
InChI:
InChI=1S/C5H2Br2ClN/c6-4-1-3(8)2-9-5(4)7/h1-2H
Key Properties
Melting Point
38-41 °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 | 271.34 g/mol | CAS Common Chemistry |
| 271.33899999999994 g/mol | RDKit | |
| 268.82425094399997 g/mol | RDKit | |
| Canonical SMILES | ClC1=CN=C(Br)C(Br)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H2Br2ClN/c6-4-1-3(8)2-9-5(4)7/h1-2H | CAS Common Chemistry |
| InChI Key | InChIKey=GDUFWKJMOOVEMX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 38-41 °C | CAS Common Chemistry |
| Name | 2,3-Dibromo-5-chloropyridine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.89 Ų | RDKit |
| LogP | 3.2600000000000007 | RDKit |
| Molar Refractivity | 44.647000000000006 | RDKit |
