2-Chloro-5-methylisonicotinic acid

Name: 2-Chloro-5-methylisonicotinic acid
Brand: ChemScene
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CAS No. 951030-56-1
Cat. No. CS-0148840
Purity≥96%
MDL No.MFCD13188984

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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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2-Chloro-5-methylisonicotinic acid|CS-0148840

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General Information

CAS No. 951030-56-1
Cat. No. CS-0148840
Purity ≥96%
MDL No. MFCD13188984
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆ClNO₂
Molecular Weight 171.58
Synonym(s) 2-chloro-5-methylpyridine-4-carboxylic acid
SMILES O=C(O)C1=C(C)C=NC(Cl)=C1

Description

2-Chloro-5-methylisonicotinic acid features a chlorine atom at the 2-position and a methyl group at the 5-position of the isonicotinic acid scaffold, delivering enhanced electron-withdrawing character and improved metabolic stability. This structural combination facilitates efficient coupling in amide bond formation and supports its use in medicinal chemistry scaffolds requiring balanced lipophilicity and solubility.

Application

2-Chloro-5-methylisonicotinic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation into heterocyclic scaffolds via coupling reactions. Its ortho-chloro and meta-methyl groups provide predictable regioselectivity in palladium-catalyzed transformations, while the carboxylic acid functionality facilitates amide bond formation and derivatization. Bench-stable and readily purified by recrystallization, it functions efficiently in API synthesis workflows requiring functional group tolerance and scalable reaction conditions.

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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Computational Chemistry Data

TPSA 50.19
LogP 1.74162
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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2-Chloro-5-methylisonicotinic acid

CAS No. 951030-56-1

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