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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-Pyridinecarboxamide, 3-bromo-

NC(=O)c1ccncc1Br Request for Quotation
Chemical Name: 4-Pyridinecarboxamide, 3-bromo-
CAS Number: 13958-99-1
Product Number: AG001BAW(AGN-PC-0NDT3Y)
Synonyms:
MDL No: MFCD09702457
Molecular Formula: C6H5BrN2O
Molecular Weight: 201.0207

Identification/Properties

Computed Properties
Molecular Weight:
201.023g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
199.959g/mol
Monoisotopic Mass:
199.959g/mol
Topological Polar Surface Area:
56A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
140
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-Bromoisonicotinamide is a versatile compound often utilized in chemical synthesis for its unique properties and reactivity. One of its primary applications lies in its role as a valuable building block in the synthesis of various pharmaceutical compounds and heterocyclic structures. This compound serves as a key intermediate in the preparation of bioactive molecules and drug candidates, due to its ability to undergo a range of selective chemical transformations, such as cross-coupling reactions, nucleophilic substitutions, and transition metal-catalyzed processes. In addition, 3-Bromoisonicotinamide is known for its compatibility with a variety of reaction conditions, making it a valuable tool in the development of innovative synthetic routes for the production of complex organic molecules with potential therapeutic applications.