6-Chloro-5-nitronicotinonitrile

Name: 6-Chloro-5-nitronicotinonitrile
Brand: ChemScene
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CAS No. 160906-98-9
Cat. No. CS-0050398
Purity≥96%
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+
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6-Chloro-5-nitronicotinonitrile|CS-0050398

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General Information

CAS No. 160906-98-9
Cat. No. CS-0050398
Purity ≥96%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₂ClN₃O₂
Molecular Weight 183.55
Synonym(s) 6-CHLORO-5-NITROPYRIDINE-3-CARBONITRILE
SMILES N#CC1=CN=C(Cl)C([N+]([O-])=O)=C1

Description

6-Chloro-5-nitronicotinonitrile features a trifunctional pyridine core with chlorine, nitro, and cyano groups positioned for orthogonal reactivity. This electron-deficient scaffold enables selective coupling in cross-coupling and cyclization cascades. The compound exhibits bench-stable handling characteristics and integrates readily into synthetic sequences requiring high functional group tolerance.

Application

6-Chloro-5-nitronicotinonitrile serves as a versatile building block in heterocyclic synthesis, enabling efficient access to functionalized pyridine scaffolds. Its orthogonal reactivity—combining a chloro group for cross-coupling and nitro/nitrile functionalities for reduction or substitution—facilitates rapid diversification in medicinal chemistry campaigns. The compound exhibits excellent bench stability and compatibility with standard reaction conditions, simplifying purification and scale-up.

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 79.82
LogP 1.51488
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Key Words

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6-Chloro-5-nitronicotinonitrile

CAS No. 160906-98-9

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