4-Bromo-2-methoxypyridine
CAS No.:
100367-39-3
M. Wt:
188.022
M. Fa:
C6H6BrNO
InChI Key:
YFTGMMXMLPTTAY-UHFFFAOYSA-N
Appearance:
Yellow Solid
Names and Identifiers of 4-Bromo-2-methoxypyridine
CAS Number |
100367-39-3 |
|---|---|
EC Number |
640-169-3 |
MDL Number |
MFCD08277268 |
IUPAC Name |
4-bromo-2-methoxypyridine |
InChI |
InChI=1S/C6H6BrNO/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3 |
InChIKey |
YFTGMMXMLPTTAY-UHFFFAOYSA-N |
Canonical SMILES |
COC1=NC=CC(=C1)Br |
UNSPSC Code |
12352100 |
Physical and chemical properties of 4-Bromo-2-methoxypyridine
Acidity coefficient |
3.76±0.10(Predicted) |
|---|---|
Appearance of Characters |
Low Melting Solid | Off-white to pale yellow |
Boiling Point |
202.3±20.0 °C at 760 mmHg |
Density |
1.5±0.1 g/cm3 |
Exact Mass |
186.963272 |
Flash Point |
76.2±21.8 °C |
Index of Refraction |
1.543 |
LogP |
2.26 |
Melting Point |
25-26℃ |
Molecular Formula |
C6H6BrNO |
Molecular Weight |
188.022 |
PSA |
22.12000 |
Storage condition |
under inert gas (nitrogen or Argon) at 2–8 °C |
Vapour Pressure |
0.4±0.4 mmHg at 25°C |
Water Solubility |
Slightly soluble in water. |
Safety Information of 4-Bromo-2-methoxypyridine
Applications of 4-Bromo-2-methoxypyridine
4-Bromo-2-methoxypyridine finds applications in various fields:
- Pharmaceuticals: It is used as an intermediate in the synthesis of pharmaceutical compounds due to its ability to form complex heterocycles.
- Material Science: The compound can be utilized in developing materials with specific electronic properties due to its unique chemical structure.
- Agricultural Chemistry: It may also have applications in agrochemicals as part of formulations aimed at pest control or plant growth regulation.
Interaction Studies of 4-Bromo-2-methoxypyridine
Studies on the interactions of 4-Bromo-2-methoxypyridine with biological systems have indicated that it may act as an inhibitor for certain cytochrome P450 enzymes. Specifically, it has been noted that this compound inhibits CYP1A2 while showing no significant inhibition on other CYP enzymes like CYP2C19 or CYP3A4. This selectivity could be crucial for understanding drug-drug interactions and optimizing therapeutic regimens involving this compound.
Physical sample testing spectrum (NMR) of 4-Bromo-2-methoxypyridine
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