Lot numbers can be found on the outside label of a product:
Methyl 3-fluoroisonicotinate
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CAS No. 876919-08-3
- Cat. No. CS-W001664
- Purity≥95%
- MDL No.MFCD11045048
*For research and further manufacturing use only, not for direct human use.
Structure of 876919-08-3
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General Information
- CAS No. 876919-08-3
- Cat. No. CS-W001664
- Purity ≥95%
- MDL No. MFCD11045048
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₆FNO₂
- Molecular Weight 155.13
- Synonym(s) 4-pyridinecarboxylic acid, 3-fluoro-, methyl ester
- SMILES COC(C1=CC=NC=C1F)=O
Description
Methyl 3-fluoroisonicotinate features a fluorinated pyridine core with a methyl ester at the 3-position, delivering enhanced metabolic stability and improved lipophilicity. This electron-deficient heterocycle integrates readily into synthetic routes for bioactive compounds, particularly in medicinal chemistry applications requiring precise electronic tuning and controlled solubility profiles under standard bench conditions.
Application
Methyl 3-fluoroisonicotinate serves as a versatile building block in medicinal chemistry, enabling efficient access to fluorinated heterocyclic scaffolds. Its ortho-fluorinated pyridine core exhibits enhanced metabolic stability and modulates electronic properties for targeted receptor interactions. The ester functionality facilitates straightforward derivatization via hydrolysis, reduction, or coupling reactions. Bench-stable and readily purified by recrystallization, it supports scalable synthesis of API intermediates and functionalized analogs in standard organic workflows.
Synthesis
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Route1
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67-56-1 -
In-stock
393-53-3 - ~94%
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In-stock
876919-08-3
References
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ASTRAZENECA AB; NPS PHARMACEUTICALS, INC. Patent: WO2007/87135 A2, 2007 ; Location in patent: Page/Page column 67 ; WO 2007/087135 A2
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Route2
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67-56-1
- ~89%
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In-stock
876919-08-3
References
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RESVERLOGIX CORP.; JOHANSSON, Jan, O.; HANSEN, Henrik, C.; CHIACCHIA, Fabrizio, S.; WONG, Norman, C.W. Patent: WO2007/16525 A2, 2007 ; Location in patent: Page/Page column 51-52 ; WO 2007/016525 A2
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Route3
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103698-10-8 - ~37%
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In-stock
876919-08-3
References
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Tjosaas, Freddy; Fiksdahl, Anne Molecules, 2006 , vol. 11, # 2-3 p. 130 - 133
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H320-H335
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Precautionary Statements : P264-P270-P330
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Quality Control
Computational Chemistry Data
- TPSA 39.19
- LogP 1.0073
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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