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2-Chloro-6-Ethoxypyridine
CAS: 42144-78-5 | C7H8ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
42144-78-5
Molecular Formula:
C7H8ClNO
Molecular Mass:
157.60 g/mol
Names and Synonyms:
2-Chloro-6-Ethoxypyridine
Pyridine, 2-chloro-6-ethoxy-
2-Chloro-6-ethoxypyridine
NSC 148330
6-Chloro-2-ethoxypyridine
Identifiers:
SMILES:
CCOc1cccc(Cl)n1
InChI:
InChI=1S/C7H8ClNO/c1-2-10-7-5-3-4-6(8)9-7/h3-5H,2H2,1H3
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 | 157.60 g/mol | CAS Common Chemistry |
| 157.59999999999997 g/mol | RDKit | |
| 157.029441556 g/mol | RDKit | |
| 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 |
| LogP | 2.1337 | RDKit |
| Molar Refractivity | 40.41600000000002 | RDKit |
