(3-Amino-2,6-difluorophenyl)(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

Name: (3-Amino-2,6-difluorophenyl)(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
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CAS No. 1312941-98-2
Cat. No. CS-M3498
Purity≥95%
MDL No.MFCD28384819

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FedEx Limited Quantities Ground	$0.00
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(3-Amino-2,6-difluorophenyl)(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone|CS-M3498

Structure of 1312941-98-2

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General Information

CAS No. 1312941-98-2
Cat. No. CS-M3498
Purity ≥95%
MDL No. MFCD28384819
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₈BrF₂N₃O
Molecular Weight 352.13
Synonym(s) None
SMILES BrC1=CN=C(NC=C2C(C3=C(F)C(N)=CC=C3F)=O)C2=C1

Description

This boronate ester integrates a 3-amino-2,6-difluorophenyl moiety with a 5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl group via a methanone linker, enabling efficient coupling in palladium-catalyzed cross-coupling reactions. The electron-deficient pyrrolopyridine core enhances reactivity, while the difluorophenyl amine offers steric and electronic tunability for medicinal chemistry applications.

Application

(3-Amino-2,6-difluorophenyl)(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone serves as a versatile building block for constructing bioactive heterocycles in medicinal chemistry. The bromo group enables palladium-catalyzed cross-coupling reactions, while the amide functionality provides structural rigidity and hydrogen-bonding potential. Bench-stable and compatible with standard purification methods, it facilitates efficient access to complex scaffolds relevant to kinase inhibitor and CNS-targeted drug discovery programs.

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
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

TPSA 71.77
LogP 3.4168
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Ketone

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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(3-Amino-2,6-difluorophenyl)(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

CAS No. 1312941-98-2

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