2-Oxo-1,2-dihydropyridine-4-carbonitrile

Name: 2-Oxo-1,2-dihydropyridine-4-carbonitrile
Brand: ChemScene
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CAS No. 94805-51-3
Cat. No. CS-W005865
Purity≥95%
MDL No.MFCD04037920

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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+
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2-Oxo-1,2-dihydropyridine-4-carbonitrile|CS-W005865

Structure of 94805-51-3

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Description

2-Oxo-1,2-dihydropyridine-4-carbonitrile features a conjugated enone system paired with a nitrile group, enabling participation in diverse heterocyclic transformations. This electron-deficient pyridine scaffold integrates readily into synthetic sequences requiring controlled reactivity under mild conditions.

Application

2-Oxo-1,2-dihydropyridine-4-carbonitrile serves as a versatile building block in heterocyclic synthesis, enabling efficient access to pyridine-based scaffolds through standard functional group transformations. Its dual electrophilic sites—ketone and nitrile—facilitate sequential derivatization, while the dihydropyridine core supports selective oxidation or metal-catalyzed coupling reactions. Bench-stable and amenable to purification by recrystallization, it functions effectively in medicinal chemistry campaigns requiring modular nitrogen-containing ring systems.

General Information

CAS No. 94805-51-3
Cat. No. CS-W005865
Purity ≥95%
MDL No. MFCD04037920
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄N₂O
Molecular Weight 120.11
Synonym(s) 2-Hydroxyisonicotinonitrile
SMILES N#CC(C=CN1)=CC1=O

Computational Chemistry Data

TPSA 56.65
LogP 0.24658
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Safety Information

Download SDS

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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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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2-Oxo-1,2-dihydropyridine-4-carbonitrile

CAS No. 94805-51-3

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