2-Chloro-4-methoxynicotinic acid

Name: 2-Chloro-4-methoxynicotinic acid
Brand: ChemScene
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CAS No. 394729-98-7
Cat. No. CS-0096904
Purity≥98%
MDL No.MFCD18378504

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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-4-methoxynicotinic acid|CS-0096904

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General Information

CAS No. 394729-98-7
Cat. No. CS-0096904
Purity ≥98%
MDL No. MFCD18378504
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆ClNO₃
Molecular Weight 187.58
Synonym(s) 2-Chloro-4-Methoxy-3-pyridinecarboxylic acid
SMILES O=C(C1=C(OC)C=CN=C1Cl)O

Description

2-Chloro-4-methoxynicotinic acid features a chlorine atom at the 2-position and a methoxy group at the 4-position of the nicotinic acid scaffold. This electron-deficient heterocycle serves as a key building block in medicinal chemistry, enabling direct incorporation into bioactive molecules through amidation or esterification. The combination of polar functional groups and aromatic stability supports efficient derivatization under standard conditions.

Application

2-Chloro-4-methoxynicotinic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation into bioactive heterocycles and pharmaceutical scaffolds. Its ortho-chloro and para-methoxy substituents provide orthogonal reactivity for palladium-catalyzed cross-coupling and directed metalation, respectively. The compound exhibits excellent bench stability, facilitates straightforward purification via recrystallization, and functions reliably in standard amide coupling and esterification protocols.

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 59.42
LogP 1.4418
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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2-Chloro-4-methoxynicotinic acid

CAS No. 394729-98-7

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