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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)-

2-AMINO-5-BROMOISONICOTINONITRILE

Brc1c[nH]c(=N)cc1C#N Request for Quotation
Chemical Name: 2-AMINO-5-BROMOISONICOTINONITRILE
CAS Number: 944401-72-3
Product Number: AG00II69(AGN-PC-09TBS4)
Synonyms:
MDL No:
Molecular Formula: C6H4BrN3
Molecular Weight: 198.0201

Identification/Properties

Computed Properties
Molecular Weight:
198.023g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
196.959g/mol
Monoisotopic Mass:
196.959g/mol
Topological Polar Surface Area:
62.7A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
162
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


2-Amino-5-bromoisonicotinonitrile, also known as $name$, plays a crucial role in chemical synthesis as a versatile building block. Its unique structure makes it a valuable intermediate in the preparation of various pharmaceutical compounds and organic materials. This compound is widely utilized in the synthesis of complex molecules due to its ability to participate in a variety of chemical reactions, such as nucleophilic substitution, condensation, and cycloaddition. In organic synthesis, $name$ serves as a key precursor for the preparation of heterocyclic compounds, which are essential in drug discovery and materials science. Additionally, its suitability for derivatization allows for the introduction of diverse functional groups, enabling the fine-tuning of molecular properties for specific applications. The versatility and utility of 2-Amino-5-bromoisonicotinonitrile make it a valuable component in the toolbox of synthetic chemists seeking to access novel compounds with potential pharmaceutical or material applications.