2-Methylisonicotinic acid

CAS No. 4021-11-8
Cat. No. CS-W008764
Purity≥96%
MDL No.MFCD00513435

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Description

2-Methylisonicotinic acid features a pyridine ring bearing a methyl group at the 2-position and a carboxylic acid at the 4-position, creating a sterically hindered, electron-deficient heterocycle. This configuration enhances its utility in pharmaceutical synthesis and as a ligand in coordination chemistry due to robust stability under standard conditions.

Application

2-Methylisonicotinic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of pyridine-based pharmacophores. Its ortho-methyl substituent enhances metabolic stability and modulates electronic properties, while the carboxylic acid group facilitates straightforward derivatization via amide, ester, or acyl chloride formation. The compound exhibits excellent bench stability and is compatible with standard coupling protocols, making it well-suited for high-throughput library generation and process-scale applications.

General Information

CAS No. 4021-11-8
Cat. No. CS-W008764
Purity ≥96%
MDL No. MFCD00513435
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₇NO₂
Molecular Weight 137.14
Synonym(s) 2-Methyl-4-pyridinecarboxylic Acid
SMILES O=C(C1=CC(C)=NC=C1)O

Computational Chemistry Data

TPSA 50.19
LogP 1.08822
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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2-Methylisonicotinic acid

CAS No. 4021-11-8

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