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6-Iodo-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one , CAS No.1203499-25-5
Basic Description
Synonyms
SCHEMBL16440202 | 1203499-25-5 | MFCD13176674 | AT11685 | 6-Iodo-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one, AldrichCPR | 6-iodo-1H-pyrido[2,3-b][1,4]oxazin-2-one | AKOS015853788 | DTXSID60673653 | 6-Iodo-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one
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
2-halopyridines Aryl iodides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl aryl ether - 2-halopyridine - Aryl halide - Aryl iodide - Pyridine - Heteroaromatic compound - Secondary carboxylic acid amide - Lactam - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organohalogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic nitrogen 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.
Names and Identifiers
IUPAC Name
6-iodo-1H-pyrido[2,3-b][1,4]oxazin-2-one
INCHI
InChI=1S/C7H5IN2O2/c8-5-2-1-4-7(10-5)12-3-6(11)9-4/h1-2H,3H2,(H,9,11)
InChIKey
XGPPXLXJNTXAQP-UHFFFAOYSA-N
Smiles
C1C(=O)NC2=C(O1)N=C(C=C2)I
Isomeric SMILES
C1C(=O)NC2=C(O1)N=C(C=C2)I
WGK Germany
3
Molecular Weight
276.03
Reaxy-Rn
29921956
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29921956&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
276.030 g/mol
XLogP3
0.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
275.94 Da
Monoisotopic Mass
275.94 Da
Topological Polar Surface Area
51.200 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
200.000
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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