Methyl 2-amino-5-fluoroisonicotinate

Name: Methyl 2-amino-5-fluoroisonicotinate
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CAS No. 1380331-29-2
Cat. No. CS-0161449
Molecule weight170.14
Purity≥98%
MDL No.MFCD23161384

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Methyl 2-amino-5-fluoroisonicotinate|CS-0161449

Structure of 1380331-29-2

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General Information

CAS No. 1380331-29-2
Cat. No. CS-0161449
Purity ≥98%
MDL No. MFCD23161384
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₇FN₂O₂
Molecular Weight 170.14
Synonym(s) 2-Amino-5-fluoro-4-pyridinecarboxylic acid methyl ester
SMILES O=C(OC)C1=C(F)C=NC(N)=C1

Description

Methyl 2-amino-5-fluoroisonicotinate is a fluorinated heterocyclic building block featuring a strategically positioned amino group and a methyl ester. This electron-rich scaffold enables efficient coupling reactions in medicinal chemistry, particularly for synthesizing kinase inhibitors and bioactive pyridine derivatives under standard conditions.

Application

Methyl 2-amino-5-fluoroisonicotinate serves as a versatile building block in medicinal chemistry, enabling efficient access to fluorinated heterocyclic scaffolds. The ortho-amino and fluoro substituents provide complementary reactivity for sequential functionalization, while the methyl ester offers straightforward manipulation via hydrolysis or coupling reactions. Its bench-stable nature and compatibility with standard synthetic protocols make it well-suited for iterative synthesis workflows in API development.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H320-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

TPSA 65.21
LogP 0.5895
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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Methyl 2-amino-5-fluoroisonicotinate

CAS No. 1380331-29-2

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