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3-Fluoro-2-Methoxy-6-Methylpyridine
CAS: 375368-80-2 | C7H8FNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
375368-80-2
Molecular Formula:
C7H8FNO
Molecular Weight:
141.14499999999998 g/mol
Names and Synonyms:
3-Fluoro-2-Methoxy-6-Methylpyridine
3-Fluoro-2-methoxy-6-methylpyridine
Pyridine, 3-fluoro-2-methoxy-6-methyl-
Identifiers:
SMILES:
COc1nc(C)ccc1F
InChI:
InChI=1S/C7H8FNO/c1-5-3-4-6(8)7(9-5)10-2/h3-4H,1-2H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 141.15 g/mol | Legacy Database |
| cas-canonical-smile | FC=1C=CC(=NC1OC)C None | Legacy Database |
| cas-inchi | InChI=1S/C7H8FNO/c1-5-3-4-6(8)7(9-5)10-2/h3-4H,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=DAQMWRIPXIPMAA-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 3-Fluoro-2-methoxy-6-methylpyridine None | Legacy Database |
| LogP | 1.53772 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 141.14499999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 141.058992096 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 22.12 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.48400000000001 | RDKit |
