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Molecule
3-Fluoro-2-Methoxy-6-Methylpyridine
CAS: 375368-80-2 · C7H8FNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 375368-80-2
- Molecular Formula
- C7H8FNO
- Molecular Mass
- 141.15 g/mol
Identifiers
CAS Registry Number
375368-80-2
SMILES
COc1nc(C)ccc1F
InChI Key
DAQMWRIPXIPMAA-UHFFFAOYSA-N
InChI
InChI=1S/C7H8FNO/c1-5-3-4-6(8)7(9-5)10-2/h3-4H,1-2H3
Names and Synonyms
- 3-Fluoro-2-Methoxy-6-Methylpyridine Systematic Name
- Pyridine, 3-fluoro-2-methoxy-6-methyl- Synonym
- 3-Fluoro-2-methoxy-6-methylpyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 141.15 g/mol | CAS Common Chemistry |
| 141.14499999999998 g/mol | RDKit | |
| 141.145 g/mol | RDKit | |
| Canonical SMILES | FC=1C=CC(=NC1OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H8FNO/c1-5-3-4-6(8)7(9-5)10-2/h3-4H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DAQMWRIPXIPMAA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Fluoro-2-methoxy-6-methylpyridine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 22.12 Ų | RDKit |
| 21.59 Ų | chempirical lib | |
| LogP | 1.53772 | RDKit |
| 1.5377 | RDKit | |
| Molar Refractivity | 35.48400000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 141.058992096 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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.
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MW = 141.15 g/mol. Edit any field — others recompute live.
