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6-Fluoro-3-hydroxyquinolin-2(1H)-one , CAS No.177944-69-3

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6-Fluoro-3-hydroxyquinolin-2(1H)-one , CAS No.177944-69-3

COA

Cas Number: 177944-69-3
Molecular Weight: 179.15
PubChem CID: 23354375

In stock

Item Number

F669228

Grouped product items
SKU	Size	Availability	Price	Qty
F669228-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
F669228-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

Synonyms	6-Fluoro-3-hydroxyquinolin-2(1H)-one \| 6-fluoro-3-hydroxy-1H-quinolin-2-one \| 6-fluoro-3-hydroxy-1,2-dihydroquinolin-2-one \| BDBM31151 \| DTXSID10633308 \| 3-hydroxyquinolin-2(1H)-one, 5 \| CHA94469 \| SB68361 \| SY342594

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Quinolones and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Quinolones and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Hydroxyquinolones
Alternative Parents	Haloquinolines Hydroquinolones Hydroxyquinolines Hydroquinolines Pyridinones Hydroxypyridines Aryl fluorides Benzenoids Heteroaromatic compounds Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds Organofluorides Organonitrogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Hydroxyquinolone - Haloquinoline - Dihydroquinolone - Hydroxyquinoline - Dihydroquinoline - Hydroxypyridine - Pyridinone - Aryl fluoride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Lactam - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as hydroxyquinolones. These are compounds containing a quinoline moiety bearing a hydroxyl group and a ketone. Quinoline or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine.
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

Product Properties

ALogP	1.3

Associated Targets(Human)

DAO Tchem D-amino-acid oxidase (2 Activities)

Discover Target: DAO

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

DAO Tchem D-amino-acid oxidase (802 Activities)

Discover Target: DAO

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	6-fluoro-3-hydroxy-1H-quinolin-2-one
INCHI	InChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(12)9(13)11-7/h1-4,12H,(H,11,13)
InChIKey	XMEDGBPWEVERPL-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1F)C=C(C(=O)N2)O
Isomeric SMILES	C1=CC2=C(C=C1F)C=C(C(=O)N2)O
PubChem CID	23354375
Molecular Weight	179.15

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	179.150 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	179.038 Da
Monoisotopic Mass	179.038 Da
Topological Polar Surface Area	49.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	264.000
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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