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6-Iodo-7-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine , CAS No.1261365-45-0
Basic Description
Synonyms
MFCD18374156 | 1261365-45-0 | 6-Iodo-7-methyl-2,3-dihydro-1H-pyrido-[2,3-b][1,4]oxazine | 6-Iodo-7-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine | D74407 | DTXSID80679056 | 1H-Pyrido[2,3-b][1,4]oxazine, 2,3-dihydro-6-iodo-7-methyl- | 6-Iodo-7-methyl-2,3
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Secondary amines
Direct Parent
Secondary alkylarylamines
Alternative Parents
Methylpyridines Alkyl aryl ethers 2-halopyridines Aryl iodides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organoiodides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl aryl ether - 2-halopyridine - Methylpyridine - Secondary aliphatic/aromatic amine - Aryl halide - Aryl iodide - Pyridine - Heteroaromatic compound - Organoheterocyclic compound - Oxacycle - Ether - Azacycle - Organic oxygen compound - Organooxygen compound - Organoiodide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as secondary alkylarylamines. These are secondary alkylarylamines with the general formula HN(R)R' (R = alkyl, R' = aryl).
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-7-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
INCHI
InChI=1S/C8H9IN2O/c1-5-4-6-8(11-7(5)9)12-3-2-10-6/h4,10H,2-3H2,1H3
InChIKey
URBOWKKGCCRBSG-UHFFFAOYSA-N
Smiles
CC1=CC2=C(N=C1I)OCCN2
Isomeric SMILES
CC1=CC2=C(N=C1I)OCCN2
WGK Germany
3
PubChem CID
50987687
Molecular Weight
276.07
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
276.070 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
275.976 Da
Monoisotopic Mass
275.976 Da
Topological Polar Surface Area
34.200 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
167.000
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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