6-Chloro-5-cyanonicotinic Acid

Name: 6-Chloro-5-cyanonicotinic Acid
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CAS No. 1206969-20-1
Cat. No. CS-0188041
Purity≥95%
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+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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6-Chloro-5-cyanonicotinic Acid|CS-0188041

Structure of 1206969-20-1

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General Information

CAS No. 1206969-20-1
Cat. No. CS-0188041
Purity ≥95%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃ClN₂O₂
Molecular Weight 182.56
Synonym(s) 6-chloro-5-cyanopyridine-3-carboxylic acid
SMILES C1=C(C#N)C(=NC=C1C(=O)O)Cl

Description

6-Chloro-5-cyanonicotinic acid features a strategically positioned chloro group and nitrile moiety on the nicotinic acid scaffold, enabling direct incorporation into bioactive heterocycles. This electron-deficient architecture facilitates coupling reactions under mild conditions, offering a robust platform for medicinal chemistry applications.

Application

6-Chloro-5-cyanonicotinic acid serves as a versatile building block in medicinal chemistry, enabling the construction of heterocyclic scaffolds through nucleophilic substitution and cyclization reactions. Its dual functionality—electron-withdrawing chlorine and nitrile groups—facilitates regioselective transformations under mild conditions. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for scalable synthesis workflows in API development.

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-P280-P302+P352

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Computational Chemistry Data

TPSA 73.98
LogP 1.30488
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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6-Chloro-5-cyanonicotinic Acid

CAS No. 1206969-20-1

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