Methyl 2-methyl-5-nitroisonicotinate

Name: Methyl 2-methyl-5-nitroisonicotinate
Brand: ChemScene
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CAS No. 139004-86-7
Cat. No. CS-0513958
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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Methyl 2-methyl-5-nitroisonicotinate|CS-0513958

Structure of 139004-86-7

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Description

Methyl 2-methyl-5-nitroisonicotinate is a bench-stable, moisture-tolerant heterocyclic ester featuring a para-nitro group and methyl substitution on the pyridine ring. This electronic configuration enhances reactivity in cross-coupling processes and facilitates incorporation into complex molecular architectures. The ester moiety enables straightforward derivatization under standard conditions.

Application

Methyl 2-methyl-5-nitroisonicotinate serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted pyridine scaffolds via standard functional group transformations. Its ortho-directing nitro and ester groups facilitate regioselective metallation and coupling reactions, while the methyl substituent enhances metabolic stability in downstream analogs. The compound exhibits excellent bench stability and is readily purified by recrystallization or column chromatography, making it well-suited for high-throughput synthesis and process development workflows.

General Information

CAS No. 139004-86-7
Cat. No. CS-0513958
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈N₂O₄
Molecular Weight 196.16
Synonym(s) 4-Pyridinecarboxylicacid,2-methyl-5-nitro-,methylester(9CI)
SMILES O=C(C1=CC(C)=NC=C1[N+]([O-])=O)OC

Computational Chemistry Data

TPSA 82.33
LogP 1.08482
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 Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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Methyl 2-methyl-5-nitroisonicotinate

CAS No. 139004-86-7

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