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5-Cyano-2(1H)-pyridinone - 98%, high purity , CAS No.94805-52-4

COA

Grade & Purity:

≥98%

Cas Number: 94805-52-4
Molecular Weight: 120.1
PubChem CID: 7062197

In stock

Item Number

C188556

Grouped product items
SKU	Size	Availability	Price
C188556-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$18.90
C188556-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$62.90
C188556-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$280.90

Discover 5-Cyano-2(1H)-pyridinone by Aladdin Scientific in 98% for only $18.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	6-Hydroxynicotinonitrile \| 94805-52-4 \| 95891-30-8 \| 3-cyano-6-hydroxypyridine \| 6-oxo-1,6-dihydropyridine-3-carbonitrile \| 5-CYANO-2-HYDROXYPYRIDINE \| 6-oxo-1H-pyridine-3-carbonitrile \| 6-oxo-1,6-dihydro-3-pyridinecarbonitrile \| 6-Hydroxy-nicotinonitrile \| 3-PYRIDINECARBO
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass 3-pyridinecarbonitriles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	3-pyridinecarbonitriles
Intermediate Tree Nodes	Not available
Direct Parent	3-pyridinecarbonitriles
Alternative Parents	Pyridinones Dihydropyridines Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3-pyridinecarbonitrile - Dihydropyridine - Pyridinone - Hydropyridine - Heteroaromatic compound - Lactam - Carbonitrile - Nitrile - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile group.
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-oxo-1H-pyridine-3-carbonitrile
INCHI	InChI=1S/C6H4N2O/c7-3-5-1-2-6(9)8-4-5/h1-2,4H,(H,8,9)
InChIKey	CCQUUHVUQQFTGV-UHFFFAOYSA-N
Smiles	C1=CC(=O)NC=C1C#N
Isomeric SMILES	C1=CC(=O)NC=C1C#N
Molecular Weight	120.1
Reaxy-Rn	13320053
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13320053&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	120.110 g/mol
XLogP3	-0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	120.032 Da
Monoisotopic Mass	120.032 Da
Topological Polar Surface Area	52.900 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	241.000
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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