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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-iodo-1H-pyrrole-2-carboxylic acid

OC(=O)c1cc(c[nH]1)I Request for Quotation
Chemical Name: 4-iodo-1H-pyrrole-2-carboxylic acid
CAS Number: 252861-26-0
Product Number: AG00BH0U(AGN-PC-0NEQWZ)
Synonyms:
MDL No:
Molecular Formula: C5H4INO2
Molecular Weight: 236.9952

Identification/Properties

Computed Properties
Molecular Weight:
236.996g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
236.929g/mol
Monoisotopic Mass:
236.929g/mol
Topological Polar Surface Area:
53.1A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
128
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-Iodo-1H-pyrrole-2-carboxylic acid is a versatile compound widely used in chemical synthesis for its unique properties and reactivity. This compound serves as a key building block in the preparation of various pharmaceuticals, agrochemicals, and organic materials. Its functional groups enable it to participate in important reactions such as cross-coupling, nucleophilic substitution, and Heck coupling, making it a valuable tool in the synthesis of complex organic molecules. In pharmaceutical research, 4-Iodo-1H-pyrrole-2-carboxylic acid is particularly useful for introducing the pyrrole moiety into drug candidates, as pyrroles are present in many bioactive compounds. Additionally, its iodo substituent can be further functionalized to incorporate additional elements or groups, allowing for the fine-tuning of molecular properties. In the field of chemical synthesis, this compound plays a crucial role in creating novel compounds with diverse applications in medicinal chemistry, materials science, and beyond.