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8-bromoimidazo[1,5-a]pyridine - 97%, high purity , CAS No.1052271-60-9
Basic Description
Synonyms
YETMJXPCEJHPRW-UHFFFAOYSA-N | AMY17296 | BS-14242 | Z1255402010 | SY059184 | 8-bromo-imidazo[1,5-a]pyridine | 8-bromoimidazo[1,5-a]pyridine | SCHEMBL661822 | AKOS023574713 | P19207 | 1052271-60-9 | EN300-1472325 | MFCD18074254 | CSB27160
Specifications & Purity
≥97%
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
Pyridines and derivatives N-substituted imidazoles Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Imidazopyridine - Pyridine - N-substituted imidazole - Aryl halide - Aryl bromide - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen 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
8-bromoimidazo[1,5-a]pyridine
INCHI
InChI=1S/C7H5BrN2/c8-6-2-1-3-10-5-9-4-7(6)10/h1-5H
InChIKey
YETMJXPCEJHPRW-UHFFFAOYSA-N
Smiles
C1=CN2C=NC=C2C(=C1)Br
Isomeric SMILES
C1=CN2C=NC=C2C(=C1)Br
Alternate CAS
1052271-60-9
PubChem CID
59468681
Molecular Weight
197.04
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
197.030 g/mol
XLogP3
2.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
195.964 Da
Monoisotopic Mass
195.964 Da
Topological Polar Surface Area
17.300 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
129.000
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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