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6-bromo-2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine - 97%, high purity , CAS No.1554779-20-2
Basic Description
Synonyms
SY271766 | AT32117 | 6-bromo-2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine | EN300-6739683 | 1554779-20-2 | BS-44703 | Z1813164174 | MFCD26732010 | SCHEMBL19761072
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazolopyridines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Triazolopyridines
Alternative Parents
Methylpyridines Aryl bromides Triazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolopyridine - Methylpyridine - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - 1,2,4-triazole - 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 triazolopyridines. These are compounds containing a triazole ring fused to a pyridine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. 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
6-bromo-2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
INCHI
InChI=1S/C8H8BrN3/c1-5-3-7(9)4-12-8(5)10-6(2)11-12/h3-4H,1-2H3
InChIKey
ORMHPSPKPTUVNW-UHFFFAOYSA-N
Smiles
CC1=CC(=CN2C1=NC(=N2)C)Br
Isomeric SMILES
CC1=CC(=CN2C1=NC(=N2)C)Br
Alternate CAS
1554779-20-2
PubChem CID
83965344
Molecular Weight
226.08
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
226.070 g/mol
XLogP3
2.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
224.99 Da
Monoisotopic Mass
224.99 Da
Topological Polar Surface Area
30.200 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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