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3,8-Dibromo-6-methylimidazo[1,2-a]pyridine - 98%, high purity , CAS No.1072944-58-1
Basic Description
Synonyms
3,8-Dibromo-6-methylimidazo[1,2-a]pyridine | 1072944-58-1 | DTXSID90674754 | XSB94458 | MFCD11504900 | AKOS015835732 | BS-25755 | CS-0100917 | A895625
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyridines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Imidazopyridines
Alternative Parents
Imidazo[1,2-a]pyridines Methylpyridines N-substituted imidazoles Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Imidazo[1,2-a]pyridine - Imidazopyridine - Methylpyridine - Aryl bromide - Aryl halide - N-substituted imidazole - Pyridine - Azole - Imidazole - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
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
3,8-dibromo-6-methylimidazo[1,2-a]pyridine
INCHI
InChI=1S/C8H6Br2N2/c1-5-2-6(9)8-11-3-7(10)12(8)4-5/h2-4H,1H3
InChIKey
HWOBYRIEVQZDGR-UHFFFAOYSA-N
Smiles
CC1=CN2C(=CN=C2C(=C1)Br)Br
Isomeric SMILES
CC1=CN2C(=CN=C2C(=C1)Br)Br
PubChem CID
46739122
Molecular Weight
290
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
289.950 g/mol
XLogP3
3.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
289.888 Da
Monoisotopic Mass
287.89 Da
Topological Polar Surface Area
17.300 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
176.000
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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