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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)-

1H-Pyrrole-2-carbonitrile, 4-formyl-1-methyl-

O=Cc1cn(c(c1)C#N)C Request for Quotation
Chemical Name: 1H-Pyrrole-2-carbonitrile, 4-formyl-1-methyl-
CAS Number: 119580-81-3
Product Number: AG008VGR(AGN-PC-000JI1)
Synonyms:
MDL No:
Molecular Formula: C7H6N2O
Molecular Weight: 134.1353

Identification/Properties

Computed Properties
Molecular Weight:
134.14g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
134.048013g/mol
Monoisotopic Mass:
134.048013g/mol
Topological Polar Surface Area:
45.8Ų
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
181
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#:
-
Hazard Statements:
H302+H312+H332
Precautionary Statements:
P280
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Formyl-1-methyl-1H-pyrrole-2-carbonitrile, a versatile compound widely utilized in chemical synthesis, serves as a crucial building block in the creation of various pharmaceuticals, agrochemicals, and functional materials. This compound is particularly valued for its ability to participate in key reactions such as condensation, cyclization, and N-alkylation, allowing for the formation of complex structures with diverse functionalities. In the realm of drug discovery, 4-Formyl-1-methyl-1H-pyrrole-2-carbonitrile plays a pivotal role as a key intermediate in the synthesis of bioactive compounds, enabling medicinal chemists to explore new avenues in the development of potential therapeutic agents. Additionally, in the field of materials science, this compound finds applications in the construction of organic frameworks with tailored properties, paving the way for the design of advanced materials for various industrial and technological purposes. By serving as a foundational component in the synthesis of a wide range of molecular scaffolds, 4-Formyl-1-methyl-1H-pyrrole-2-carbonitrile stands as a valuable tool in the hands of synthetic chemists seeking to unlock new possibilities in the realm of chemical synthesis.