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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

OC(=O)c1cc2c([nH]1)ncnc2Cl Request for Quotation
Chemical Name: 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CAS Number: 1016241-80-7
Product Number: AG0004ZV(AGN-PC-07HAX9)
Synonyms:
MDL No:
Molecular Formula: C7H4ClN3O2
Molecular Weight: 197.5786

Identification/Properties

Computed Properties
Molecular Weight:
197.578g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
196.999g/mol
Monoisotopic Mass:
196.999g/mol
Topological Polar Surface Area:
78.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
226
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid is a versatile chemical compound that finds extensive applications in the field of chemical synthesis. As a key building block in organic chemistry, this compound serves as an important intermediate in the synthesis of various pharmaceuticals, agrochemicals, and advanced materials. Its unique structure and reactivity make it particularly useful in the creation of complex molecules with diverse functionalities.In chemical synthesis, 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid can be utilized for the construction of heterocyclic compounds through cyclization reactions. Its halogen substituent enables further functionalization, allowing for the introduction of additional groups or modifications to tailor the properties of the final product. This compound plays a crucial role in the development of novel compounds with potential applications in drug discovery, material science, and other research areas.Overall, 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid is a valuable tool for chemists engaged in the synthesis of diverse molecules, offering opportunities for innovative and efficient synthetic pathways with broad implications across various industries.