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Molecule
2-Chloro-6-Ethoxypyridine
CAS: 42144-78-5 · C7H8ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 42144-78-5
- Molecular Formula
- C7H8ClNO
- Molecular Mass
- 157.60 g/mol
Identifiers
CAS Registry Number
42144-78-5
SMILES
CCOc1cccc(Cl)n1
InChI Key
AMSLPXHLKHZWBJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H8ClNO/c1-2-10-7-5-3-4-6(8)9-7/h3-5H,2H2,1H3
Names and Synonyms
- 2-Chloro-6-Ethoxypyridine Systematic Name
- Pyridine, 2-chloro-6-ethoxy- Synonym
- 2-Chloro-6-ethoxypyridine Synonym
- NSC 148330 Synonym
- 6-Chloro-2-ethoxypyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.60 g/mol | CAS Common Chemistry |
| 157.59999999999997 g/mol | RDKit | |
| 157.6 g/mol | RDKit | |
| 157.597 g/mol | chempirical lib | |
| Canonical SMILES | ClC=1N=C(OCC)C=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H8ClNO/c1-2-10-7-5-3-4-6(8)9-7/h3-5H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AMSLPXHLKHZWBJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Chloro-6-ethoxypyridine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 22.12 Ų | RDKit |
| 21.59 Ų | chempirical lib | |
| LogP | 2.1337 | RDKit |
| Molar Refractivity | 40.41600000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 157.029441556 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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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.
External Resources
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MW = 157.60 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H8ClNO.
