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3-bromo-5,6-dihydropyrrolo[3,4-b]pyridin-7-one - 97%, high purity , CAS No.1346809-61-7

COA

Grade & Purity:

≥97%

Cas Number: 1346809-61-7
Molecular Weight: 213.03
MDL number: MFCD20257894
PubChem CID: 71302914

In stock

Item Number

B628421

Grouped product items
SKU	Size	Availability	Price
B628421-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$127.90
B628421-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$203.90
B628421-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$339.90
B628421-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$509.90
B628421-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,551.90

Basic Description

Synonyms	A934667 \| 3-Bromo-5,6-dihydro-pyrrolo[3,4-b]pyridin-7-one \| 3-Bromo-5,6-dihydropyrrolo[3,4-b]pyridin-7-one \| SCHEMBL16478117 \| MFCD20257894 \| 1346809-61-7 \| AKOS016845433 \| 7H-Pyrrolo[3,4-b]pyridin-7-one, 3-bromo-5,6-dihydro- \| AS-36187 \| SY250056 \| 3-Bro
Specifications & Purity	≥97%
Shipped In	Normal

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	2-heteroaryl carboxamides Pyridines and derivatives Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrrolopyridine - 2-heteroaryl carboxamide - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - 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	3-bromo-5,6-dihydropyrrolo[3,4-b]pyridin-7-one
INCHI	InChI=1S/C7H5BrN2O/c8-5-1-4-2-10-7(11)6(4)9-3-5/h1,3H,2H2,(H,10,11)
InChIKey	MIVZJHZGDCIYBT-UHFFFAOYSA-N
Smiles	C1C2=C(C(=O)N1)N=CC(=C2)Br
Isomeric SMILES	C1C2=C(C(=O)N1)N=CC(=C2)Br
Alternate CAS	1346809-61-7
PubChem CID	71302914
Molecular Weight	213.03

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	213.030 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	211.959 Da
Monoisotopic Mass	211.959 Da
Topological Polar Surface Area	42.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	185.000
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

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