7H-Pyrrolo[2,3-d]pyrimidine-2-carboxylic acid

Name: 7H-Pyrrolo[2,3-d]pyrimidine-2-carboxylic acid
Brand: ChemScene
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CAS No. 1314723-98-2
Cat. No. CS-0080695
Molecule weight163.13
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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7H-Pyrrolo[2,3-d]pyrimidine-2-carboxylic acid|CS-0080695

Structure of 1314723-98-2

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General Information

CAS No. 1314723-98-2
Cat. No. CS-0080695
Purity ≥98%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅N₃O₂
Molecular Weight 163.13
Synonym(s) None
SMILES O=C(C1=NC=C2C(NC=C2)=N1)O

Description

7H-Pyrrolo[2,3-d]pyrimidine-2-carboxylic acid is a heterocyclic scaffold featuring a fused pyrrole-pyrimidine core with a carboxylic acid at the C2 position. This structure integrates electron-rich aromaticity with a polar functional group, enabling direct conjugation in medicinal chemistry and materials science applications. The acidic proton facilitates salt formation and derivatization under mild conditions, enhancing solubility and reactivity in synthetic workflows.

Application

7H-Pyrrolo[2,3-d]pyrimidine-2-carboxylic acid serves as a versatile building block for the synthesis of biologically active heterocycles, particularly in kinase inhibitor and nucleoside analog development. Its carboxylic acid functionality enables straightforward derivatization via amide coupling, esterification, or salt formation, while the fused pyrrolo[2,3-d]pyrimidine core exhibits favorable bench stability and compatibility with standard organic transformations. The scaffold provides a rigid, planar platform suitable for structure-activity relationship studies in medicinal chemistry.

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 : P233-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

TPSA 78.87
LogP 0.6561
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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7H-Pyrrolo[2,3-d]pyrimidine-2-carboxylic acid

CAS No. 1314723-98-2

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