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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)-

Benzoic acid, 3-pyrazinyl-

OC(=O)c1cccc(c1)c1cnccn1 Request for Quotation
Chemical Name: Benzoic acid, 3-pyrazinyl-
CAS Number: 856905-13-0
Product Number: AG004PR1(AGN-PC-03NWYJ)
Synonyms:
MDL No:
Molecular Formula: C11H8N2O2
Molecular Weight: 200.1934

Identification/Properties

Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
200.197g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
200.059g/mol
Monoisotopic Mass:
200.059g/mol
Topological Polar Surface Area:
63.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
233
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-(Pyrazin-2-yl)benzoic acid, also known as $name$, is a versatile compound widely used in chemical synthesis. This compound plays a crucial role in the development of various pharmaceuticals, agrochemicals, and materials.1. Ligand for Metal Complexes:
3-(Pyrazin-2-yl)benzoic acid is frequently employed as a ligand in the synthesis of metal complexes. Its unique structure allows for the coordination of metal ions, leading to the formation of stable complexes with specific properties. These metal complexes have applications in catalysis, material science, and medicinal chemistry.2. Building Block for Heterocyclic Compounds:
Due to the presence of both pyrazine and benzoic acid moieties, 3-(Pyrazin-2-yl)benzoic acid serves as a valuable building block for synthesizing various heterocyclic compounds. By incorporating this compound into organic reactions, chemists can access a diverse range of novel molecules with potential biological activities.3. Precursor for Pharmacologically Active Compounds:
The unique structure of 3-(Pyrazin-2-yl)benzoic acid makes it a valuable precursor for synthesizing pharmacologically active compounds. Through strategic modifications and functional group transformations, researchers can access analogs and derivatives with enhanced potency, selectivity, and bioavailability for drug development purposes.