The store will not work correctly when cookies are disabled.
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.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
2,3-Dihydro-[1,4]dioxino[2,3-b]pyridine-7-carbonitrile , CAS No.1261365-28-9
Basic Description
Synonyms
1,4-Dioxino[2,3-b]pyridine-7-carbonitrile, 2,3-dihydro- | 2,3-Dihydro-[1,4]dioxino[2,3-b]pyridine-7-carbonitrile, AldrichCPR | Z1255406112 | DTXSID60679135 | MFCD18374084 | FT-0682856 | 1261365-28-9 | 2H,3H-[1,4]dioxino[2,3-b]pyridine-7-carbonitrile | AKO
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Not available
Direct Parent
Alkyl aryl ethers
Alternative Parents
Pyridines and derivatives Para dioxins Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl aryl ether - Pyridine - Para-dioxin - Heteroaromatic compound - Oxacycle - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
External Descriptors
Not available
Data sources
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.
Associated Targets(non-human)
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
2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carbonitrile
INCHI
InChI=1S/C8H6N2O2/c9-4-6-3-7-8(10-5-6)12-2-1-11-7/h3,5H,1-2H2
InChIKey
PEUMBPSFICEIOM-UHFFFAOYSA-N
Smiles
C1COC2=C(O1)C=C(C=N2)C#N
Isomeric SMILES
C1COC2=C(O1)C=C(C=N2)C#N
Molecular Weight
162.15
Reaxy-Rn
34991554
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34991554&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
162.150 g/mol
XLogP3
0.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
162.043 Da
Monoisotopic Mass
162.043 Da
Topological Polar Surface Area
55.100 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
210.000
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.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
