JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.

This is a demo store. No orders will be fulfilled.

Account

Settings

Language

྾

Home
Materials Science
Biomedical Materials
2,6-Dihydroxy-4-methyl-3-pyridinecarbonitrile - 95%, high purity , CAS No.5444-02-0

Skip to the end of the images gallery

Skip to the beginning of the images gallery

2,6-Dihydroxy-4-methyl-3-pyridinecarbonitrile - 95%, high purity , CAS No.5444-02-0

COA

Grade & Purity:

≥95%

Cas Number: 5444-02-0
Molecular Weight: 150.13
EC Number: 226-639-7
MDL number: MFCD00023471
PubChem CID: 79516

In stock

Item Number

D474802

Grouped product items
SKU	Size	Availability	Price
D474802-5g	5g	2	$12.90
D474802-25g	25g	2	$40.90
D474802-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$140.90
D474802-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$600.90

Basic Description

Synonyms	A15641 \| Pyridine-3-carbonitrile, 2,6-dihydroxy-4-methyl- \| 1,2-Dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile \| 2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile \| 3-Cyano-4-methyl-2,6-pyridinediol \| AKOS000268878 \| BDBM50443010 \| EN300-17738 \| HMS178
Specifications & Purity	≥95%
Storage Temp	Argon charged
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 Methylpyridines Hydroxypyridines Dihydropyridines Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3-pyridinecarbonitrile - Dihydropyridine - Pyridinone - Hydroxypyridine - Methylpyridine - Hydropyridine - Heteroaromatic compound - Lactam - Azacycle - Nitrile - Carbonitrile - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - 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

Associated Targets(Human)

UPP1 Tchem Uridine phosphorylase 1 (2 Activities)

Discover Target: UPP1

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

UPP1 Tchem Uridine phosphorylase 1 (88 Activities)

Discover Target: UPP1

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

HT-29 (80576 Activities)

Explore this target

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

HaCaT (4069 Activities)

Explore this target

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

Associated Targets(non-human)

deoA Thymidine phosphorylase (531 Activities)

Discover Target: deoA

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	2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
INCHI	InChI=1S/C7H6N2O2/c1-4-2-6(10)9-7(11)5(4)3-8/h2H,1H3,(H2,9,10,11)
InChIKey	YRGYYQCOWUULNF-UHFFFAOYSA-N
Smiles	CC1=CC(=O)NC(=C1C#N)O
Isomeric SMILES	CC1=CC(=O)NC(=C1C#N)O
WGK Germany	3
Molecular Weight	150.13
Reaxy-Rn	4741953
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4741953&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
A2416338	Certificate of Analysis	Nov 27, 2023	D474802
A2416340	Certificate of Analysis	Nov 27, 2023	D474802
A2416341	Certificate of Analysis	Nov 27, 2023	D474802
A2416342	Certificate of Analysis	Nov 27, 2023	D474802
A2416344	Certificate of Analysis	Nov 27, 2023	D474802

Chemical and Physical Properties

Sensitivity	Air sensitive
Melt Point(°C)	315°C
Molecular Weight	150.130 g/mol
XLogP3	0.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	150.043 Da
Monoisotopic Mass	150.043 Da
Topological Polar Surface Area	73.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	317.000
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

Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.