3-Bromo-5-chloro-6-ethylpyrazine-2-carbonitrile

Name: 3-Bromo-5-chloro-6-ethylpyrazine-2-carbonitrile
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CAS No. 2043020-03-5
Cat. No. CS-M3619
Purity≥98%
MDL No.MFCD30532902

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3-Bromo-5-chloro-6-ethylpyrazine-2-carbonitrile|CS-M3619

Structure of 2043020-03-5

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General Information

CAS No. 2043020-03-5
Cat. No. CS-M3619
Purity ≥98%
MDL No. MFCD30532902
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅BrClN₃
Molecular Weight 246.49
Synonym(s) 3-Bromo-5-chloro-6-ethyl-2-pyrazinecarbonitrile
SMILES BrC1=C(C#N)N=C(CC)C(Cl)=N1

Description

3-Bromo-5-chloro-6-ethylpyrazine-2-carbonitrile features a pyrazine core functionalized with bromo, chloro, ethyl, and nitrile groups, enabling diverse coupling reactions. The electron-deficient ring facilitates transition metal-catalyzed transformations, while the nitrile moiety offers synthetic versatility for downstream derivatization. This compound serves as a key building block in pharmaceutical and agrochemical synthesis.

Application

3-Bromo-5-chloro-6-ethylpyrazine-2-carbonitrile serves as a versatile heterocyclic building block for medicinal chemistry and agrochemical synthesis. Its complementary halogenation pattern enables sequential cross-coupling reactions, while the nitrile group offers a handle for functionalization via hydrolysis or nucleophilic addition. The ethyl substituent enhances solubility and modulates electronic properties, supporting efficient derivatization in standard transition-metal-catalyzed transformations.

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 49.57
LogP 2.32658
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazine compounds

Key Words

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3-Bromo-5-chloro-6-ethylpyrazine-2-carbonitrile

CAS No. 2043020-03-5

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