5-(((5-Chloro-2-methylpyridin-3-yl)amino)methyl)thiophene-2-carboxylic acid

Name: 5-(((5-Chloro-2-methylpyridin-3-yl)amino)methyl)thiophene-2-carboxylic acid
Brand: ChemScene
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CAS No. 1404456-63-8
Cat. No. CS-M2841
Purity≥97%
MDL No.MFCD28347637

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Excepted Quantity	$0.00
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5-(((5-Chloro-2-methylpyridin-3-yl)amino)methyl)thiophene-2-carboxylic acid|CS-M2841

Structure of 1404456-63-8

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General Information

CAS No. 1404456-63-8
Cat. No. CS-M2841
Purity ≥97%
MDL No. MFCD28347637
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₁ClN₂O₂S
Molecular Weight 282.75
Synonym(s) 2-Thiophenecarboxylic acid, 5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-
SMILES O=C(C1=CC=C(CNC2=CC(Cl)=CN=C2C)S1)O

Description

This thiophene-based scaffold integrates a 5-chloro-2-methylpyridin-3-yl amino methyl moiety, delivering enhanced solubility and stability under standard conditions. The electron-deficient pyridine ring facilitates directed metalation, while the carboxylic acid group enables straightforward coupling reactions. Designed for modular synthesis in medicinal chemistry applications.

Application

5-(((5-Chloro-2-methylpyridin-3-yl)amino)methyl)thiophene-2-carboxylic acid serves as a versatile building block for constructing bioactive heterocycles, enabling efficient coupling reactions via its carboxylic acid and amino functionalities. The molecule exhibits bench stability, tolerates diverse reaction conditions, and facilitates the synthesis of pharmaceutical intermediates through standard amide and Suzuki-type transformations.

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-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 62.22
LogP 3.41522
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Thiophene compounds

Key Words

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5-(((5-Chloro-2-methylpyridin-3-yl)amino)methyl)thiophene-2-carboxylic acid

CAS No. 1404456-63-8

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