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Molecule
3,5-Dichloropyridine
CAS: 2457-47-8 · C5H3Cl2N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2457-47-8
- Molecular Formula
- C5H3Cl2N
- Molecular Mass
- 147.99 g/mol
Identifiers
CAS Registry Number
2457-47-8
SMILES
Clc1cncc(Cl)c1
InChI Key
WPGHPGAUFIJVJF-UHFFFAOYSA-N
InChI
InChI=1S/C5H3Cl2N/c6-4-1-5(7)3-8-2-4/h1-3H
Names and Synonyms
- 3,5-Dichloropyridine Synonym
- Pyridine, 3,5-dichloro- Synonym
- 3,5-Dichloropyridine Synonym
- NSC 60546 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 147.99 g/mol | CAS Common Chemistry |
| 147.992 g/mol | RDKit | |
| 147.986 g/mol | chempirical lib | |
| Canonical SMILES | ClC1=CN=CC(Cl)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H3Cl2N/c6-4-1-5(7)3-8-2-4/h1-3H | CAS Common Chemistry |
| InChI Key | InChIKey=WPGHPGAUFIJVJF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 65-67 °C | CAS Common Chemistry |
| Name | 3,5-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 | 2.3884000000000007 | RDKit |
| 2.3884 | RDKit | |
| Molar Refractivity | 34.257000000000005 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
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 147.99 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H3Cl2N.
