7-Chloro-8-fluoropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione

Name: 7-Chloro-8-fluoropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
Brand: ChemScene
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CAS No. 2454397-75-0
Cat. No. CS-0148198
Purity≥97%
MDL No.None

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7-Chloro-8-fluoropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione|CS-0148198

Structure of 2454397-75-0

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Description

7-Chloro-8-fluoropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione features a fused bicyclic core with orthogonal electron-withdrawing halogens at C7 and C8, enhancing electrophilicity for directed functionalization. This bench-stable scaffold integrates readily into kinase inhibitor scaffolds and serves as a key building block in medicinal chemistry campaigns targeting ATP-binding sites.

Application

7-Chloro-8-fluoropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to pyrido[4,3-d]pyrimidine-based scaffolds. Its orthogonal reactivity profile—facilitated by the strategically positioned chloro and fluoro substituents—supports selective functionalization at C7 and C8, while the diketone core enables facile derivatization via condensation or nucleophilic substitution. The compound exhibits robust bench stability and compatibility with standard synthetic workflows, making it well-suited for modular library synthesis and process-scale applications.

General Information

CAS No. 2454397-75-0
Cat. No. CS-0148198
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃ClFN₃O₂
Molecular Weight 215.57
Synonym(s) 7-chloro-8-fluoropyrido[4.3-d]pyrimidine-2,4(1Ht3H)-dione
SMILES O=C1NC2=C(C=NC(Cl)=C2F)C(N1)=O

Computational Chemistry Data

TPSA 78.61
LogP 0.4039
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 0

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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Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

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7-Chloro-8-fluoropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione

CAS No. 2454397-75-0

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