Skip to the beginning of the images gallery

5-Bromo-6-oxo-1,6-dihydropyridine-3-carbonitrile - 98%, high purity , CAS No.19840-44-9

COA

Grade & Purity:

≥98%

Cas Number: 19840-44-9
Molecular Weight: 199.01
PubChem CID: 30772107

In stock

Item Number

B578974

Grouped product items
SKU	Size	Availability	Price
B578974-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$408.90
B578974-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$568.90
B578974-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,568.90

Basic Description

Synonyms	19840-44-9 \| 5-bromo-6-hydroxynicotinonitrile \| 5-Bromo-6-oxo-1,6-dihydropyridine-3-carbonitrile \| 5-bromo-6-hydroxypyridine-3-carbonitrile \| 5-bromo-6-oxo-1H-pyridine-3-carbonitrile \| MFCD11100229 \| 3-Pyridinecarbonitrile,5-bromo-1,6-dihydro-6-oxo- \| SCHEMBL16180597 \| D
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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 Aryl bromides Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3-pyridinecarbonitrile - Dihydropyridine - Pyridinone - Aryl bromide - Aryl halide - Hydropyridine - Heteroaromatic compound - Lactam - Nitrile - Carbonitrile - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen 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	5-bromo-6-oxo-1H-pyridine-3-carbonitrile
INCHI	InChI=1S/C6H3BrN2O/c7-5-1-4(2-8)3-9-6(5)10/h1,3H,(H,9,10)
InChIKey	NCIBXYJEJGGUFF-UHFFFAOYSA-N
Smiles	C1=C(C(=O)NC=C1C#N)Br
Isomeric SMILES	C1=C(C(=O)NC=C1C#N)Br
Molecular Weight	199.01
Reaxy-Rn	56838390
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=56838390&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	259-261°
Molecular Weight	199.000 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	197.943 Da
Monoisotopic Mass	197.943 Da
Topological Polar Surface Area	52.900 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	281.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration