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3-Amino-5-(trifluoromethyl)pyridin-2(1H)-one - 97%, high purity , CAS No.90778-25-9

COA

Grade & Purity:

≥97%

Cas Number: 90778-25-9
Molecular Weight: 178.1
PubChem CID: 2315787

In stock

Item Number

A188025

Grouped product items
SKU	Size	Availability	Price	Qty
A188025-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$492.90
A188025-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,470.90

Basic Description

Synonyms	90778-25-9 \| 3-Amino-5-(trifluoromethyl)pyridin-2-ol \| 3-amino-5-(trifluoromethyl)pyridin-2(1H)-one \| 3-Amino-2-hydroxy-5-(trifluoromethyl)pyridine \| 3-Amino-2-hydroxy-5-trifluoromethylpyridine \| 3-amino-5-(trifluoromethyl)-1H-pyridin-2-one \| 5-(Trifluoromethyl)-3-am
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Hydropyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Hydropyridines
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinones
Alternative Parents	Dihydropyridines Aminopyridines and derivatives Heteroaromatic compounds Lactams Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aminopyridine - Dihydropyridine - Pyridinone - Heteroaromatic compound - Lactam - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinones. These are compounds containing a pyridine ring, which bears a ketone.
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-amino-5-(trifluoromethyl)-1H-pyridin-2-one
INCHI	InChI=1S/C6H5F3N2O/c7-6(8,9)3-1-4(10)5(12)11-2-3/h1-2H,10H2,(H,11,12)
InChIKey	UKJVAYOQXPDMHO-UHFFFAOYSA-N
Smiles	C1=C(C(=O)NC=C1C(F)(F)F)N
Isomeric SMILES	C1=C(C(=O)NC=C1C(F)(F)F)N
Molecular Weight	178.1
Reaxy-Rn	36165768
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36165768&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	178.110 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	178.035 Da
Monoisotopic Mass	178.035 Da
Topological Polar Surface Area	55.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	277.000
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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