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6-chloro-3,3-dimethyl-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one - 97%, high purity , CAS No.1581754-84-8

COA

Grade & Purity:

≥97%

Cas Number: 1581754-84-8
Molecular Weight: 196.63
PubChem CID: 90047413

In stock

Item Number

C629743

Grouped product items
SKU	Size	Availability	Price
C629743-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$90.90
C629743-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$221.90
C629743-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$441.90

Basic Description

Synonyms	1581754-84-8 \| 6-chloro-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2(3H)-one \| 6-Chloro-3,3-dimethyl-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one \| MFCD28677961 \| 6-chloro-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one \| 2H-Pyrrolo[2,3-b]pyridin-2-one, 6-chloro-1,3
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-halopyridines Imidolactams Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrrolopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Secondary carboxylic acid amide - Lactam - Carboxamide group - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen 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	6-chloro-3,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-one
INCHI	InChI=1S/C9H9ClN2O/c1-9(2)5-3-4-6(10)11-7(5)12-8(9)13/h3-4H,1-2H3,(H,11,12,13)
InChIKey	WTLOWZMYUVXLOP-UHFFFAOYSA-N
Smiles	CC1(C2=C(NC1=O)N=C(C=C2)Cl)C
Isomeric SMILES	CC1(C2=C(NC1=O)N=C(C=C2)Cl)C
PubChem CID	90047413
Molecular Weight	196.63

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	196.630 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	196.04 Da
Monoisotopic Mass	196.04 Da
Topological Polar Surface Area	42.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	242.000
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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