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1-(5-Fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanone - 98%, high purity , CAS No.1228666-59-8

COA

Grade & Purity:

≥98%

Cas Number: 1228666-59-8
Molecular Weight: 178.16
PubChem CID: 49761629

In stock

Item Number

F166639

Grouped product items
SKU	Size	Availability	Price
F166639-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$51.90
F166639-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$196.90
F166639-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$605.90

Discover 1-(5-Fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanone by Aladdin Scientific in 98% for only $51.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1-(5-Fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanone \| DTXSID30678433 \| 1228666-59-8 \| MFCD16628259 \| 1-(5-Fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethan-1-one \| 1-(5-Fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanone, AldrichCPR \| AKOS006333602
Specifications & Purity	≥98%
Storage Temp	Room temperature
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	Aryl alkyl ketones Pyridines and derivatives Aryl fluorides Vinylogous halides Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrrolopyridine - Aryl ketone - Aryl alkyl ketone - Aryl fluoride - Aryl halide - Pyridine - Pyrrole - Heteroaromatic compound - Vinylogous halide - Ketone - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - 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	1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanone
INCHI	InChI=1S/C9H7FN2O/c1-5(13)8-6-2-3-11-9(6)12-4-7(8)10/h2-4H,1H3,(H,11,12)
InChIKey	QOCUJDISJMTOMI-UHFFFAOYSA-N
Smiles	CC(=O)C1=C2C=CNC2=NC=C1F
Isomeric SMILES	CC(=O)C1=C2C=CNC2=NC=C1F
WGK Germany	3
Molecular Weight	178.16
Reaxy-Rn	62921581
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=62921581&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	178.160 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	178.054 Da
Monoisotopic Mass	178.054 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	222.000
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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