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Molecule
2,4-Dichloropyridine
CAS: 26452-80-2 · C5H3Cl2N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 26452-80-2
- Molecular Formula
- C5H3Cl2N
- Molecular Mass
- 147.99 g/mol
Identifiers
CAS Registry Number
26452-80-2
SMILES
Clc1ccnc(Cl)c1
InChI Key
TYPVHTOETJVYIV-UHFFFAOYSA-N
InChI
InChI=1S/C5H3Cl2N/c6-4-1-2-8-5(7)3-4/h1-3H
Names and Synonyms
- 2,4-Dichloropyridine Synonym
- Pyridine, 2,4-dichloro- Synonym
- 2,4-Dichloropyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 147.99 g/mol | CAS Common Chemistry |
| 147.99200000000002 g/mol | RDKit | |
| 147.992 g/mol | RDKit | |
| 147.986 g/mol | chempirical lib | |
| Boiling Point | 184 °C | CAS Common Chemistry |
| Canonical SMILES | ClC1=NC=CC(Cl)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H3Cl2N/c6-4-1-2-8-5(7)3-4/h1-3H | CAS Common Chemistry |
| InChI Key | InChIKey=TYPVHTOETJVYIV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 0 °C | CAS Common Chemistry |
| Name | 2,4-Dichloropyridine | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 |
| 12.36 Ų | chempirical lib | |
| LogP | 2.3884 | RDKit |
| Molar Refractivity | 34.25700000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 146.964254456 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
80
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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 = 147.99 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H3Cl2N.
