Methyl 5-fluoro-2-methoxynicotinate
CAS No.:
122433-52-7
M. Wt:
185.152
M. Fa:
C8H8FNO3
InChI Key:
DDKRCQZGZYDVLM-UHFFFAOYSA-N
Appearance:
Solid
Names and Identifiers of Methyl 5-fluoro-2-methoxynicotinate
CAS Number |
122433-52-7 |
|---|---|
MDL Number |
MFCD14698160 |
IUPAC Name |
methyl 5-fluoro-2-methoxypyridine-3-carboxylate |
InChI |
InChI=1S/C8H8FNO3/c1-12-7-6(8(11)13-2)3-5(9)4-10-7/h3-4H,1-2H3 |
InChIKey |
DDKRCQZGZYDVLM-UHFFFAOYSA-N |
Canonical SMILES |
COC1=C(C=C(C=N1)F)C(=O)OC |
UNSPSC Code |
12352100 |
Physical and chemical properties of Methyl 5-fluoro-2-methoxynicotinate
Acidity coefficient |
-1.06±0.20(Predicted) |
|---|---|
Boiling Point |
237.9±40.0 °C at 760 mmHg |
Density |
1.2±0.1 g/cm3 |
Exact Mass |
185.048828 |
Flash Point |
97.7±27.3 °C |
Index of Refraction |
1.487 |
LogP |
1.73 |
Molecular Formula |
C8H8FNO3 |
Molecular Weight |
185.152 |
PSA |
48.42000 |
Storage condition |
Inert atmosphere,Room Temperature |
Vapour Pressure |
0.0±0.5 mmHg at 25°C |
Safety Information of Methyl 5-fluoro-2-methoxynicotinate
Applications of Methyl 5-fluoro-2-methoxynicotinate
Methyl 5-fluoro-2-methoxynicotinate has potential applications in medicinal chemistry due to its structural characteristics. It may serve as:
- Pharmaceutical Intermediate: It could be a precursor for synthesizing more complex molecules with therapeutic potential.
- Research Tool: Due to its unique properties, it may be used in studies exploring the effects of fluorinated compounds on biological systems.
Interaction Studies of Methyl 5-fluoro-2-methoxynicotinate
While specific interaction studies on methyl 5-fluoro-2-methoxynicotinate are scarce, compounds with similar structures often undergo interactions with various biological targets, including enzymes and receptors involved in neurotransmission and inflammation pathways. The presence of fluorine typically enhances binding affinity due to increased hydrophobic interactions and potential for forming stronger hydrogen bonds.
Cas:122433-51-6
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