Skip to the beginning of the images gallery

5-Bromo-1-methyl-1H-pyrrolo[2，3-b]pyridine-2，3-dione - ≥98%, high purity , CAS No.1173721-45-3

COA

Grade & Purity:

≥98%

Cas Number: 1173721-45-3
Molecular Weight: 241.04
PubChem CID: 70700590

In stock

Item Number

B734785

Grouped product items
SKU	Size	Availability	Price
B734785-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$305.90
B734785-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$518.90
B734785-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,516.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolopyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolopyridines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolopyridines
Alternative Parents	Aryl ketones Pyridines and derivatives Imidolactams Aryl bromides Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrrolopyridine - Aryl ketone - Aryl bromide - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous amide - Carboxamide group - Ketone - Lactam - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	5-bromo-1-methylpyrrolo[2,3-b]pyridine-2,3-dione
INCHI	InChI=1S/C8H5BrN2O2/c1-11-7-5(6(12)8(11)13)2-4(9)3-10-7/h2-3H,1H3
InChIKey	AJQKBOXVCYDTSS-UHFFFAOYSA-N
Smiles	CN1C2=C(C=C(C=N2)Br)C(=O)C1=O
Isomeric SMILES	CN1C2=C(C=C(C=N2)Br)C(=O)C1=O
PubChem CID	70700590
Molecular Weight	241.04

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	241.040 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	239.953 Da
Monoisotopic Mass	239.953 Da
Topological Polar Surface Area	50.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	269.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration