6-Chloro-5-nitronicotinic acid methyl ester

CAS No. 59237-53-5
Cat. No. CS-B0656
Purity≥98%
MDL No.MFCD01928341

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6-Chloro-5-nitronicotinic acid methyl ester|CS-B0656

Structure of 59237-53-5

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Description

6-Chloro-5-nitronicotinic acid methyl ester features a chlorinated pyridine core with complementary nitro and ester functionalities. This electron-deficient scaffold integrates readily into heterocyclic synthesis, serving as a key intermediate for bioactive molecule construction under standard conditions.

Application

6-Chloro-5-nitronicotinic acid methyl ester serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted pyridine scaffolds. Its orthogonal functional groups—chlorine at C6 and nitro at C5—facilitate sequential transformations via nucleophilic substitution and reduction, respectively. The methyl ester provides a handle for further derivatization, while the compound exhibits good bench stability and ease of purification, making it well-suited for multi-step synthesis campaigns in API development.

General Information

CAS No. 59237-53-5
Cat. No. CS-B0656
Purity ≥98%
MDL No. MFCD01928341
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅ClN₂O₄
Molecular Weight 216.58
Synonym(s) NSC 405361; Methyl 6-chloro-5-nitronicotinate
SMILES O=C(OC)C1=CN=C(Cl)C([N+]([O-])=O)=C1

Computational Chemistry Data

TPSA 82.33
LogP 1.4298
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 2

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

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6-Chloro-5-nitronicotinic acid methyl ester

CAS No. 59237-53-5

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