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2-{7-bromo-4-chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl}acetonitrile - 97%, high purity , CAS No.842144-05-2
Discover 2-{7-bromo-4-chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl}acetonitrile by Aladdin Scientific in 97% for only $1,518.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
842144-05-2 | (7-bromo-4-chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)acetonitrile | 2-(7-Bromo-4-chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)acetonitrile | 2-(7-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)acetonitrile | MFCD17015887 | 2-(7-Bromo-4-chloro-1-e
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyridines
Subclass
Imidazo-[4,5-c]pyridines
Intermediate Tree Nodes
Not available
Direct Parent
Imidazo-[4,5-c]pyridines
Alternative Parents
Polyhalopyridines 2-halopyridines N-substituted imidazoles Aryl chlorides Aryl bromides Heteroaromatic compounds Nitriles Azacyclic compounds Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Imidazo-[4,5-c]pyridine - Polyhalopyridine - 2-halopyridine - Aryl bromide - Aryl chloride - Aryl halide - Pyridine - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Azacycle - Carbonitrile - Nitrile - Organic nitrogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as imidazo-[4,5-c]pyridines. These are organic heterocyclic compounds containing an imidazo-[4,5-c]pyridine ring system. Imidazo-[4,5-c]pyridine consists of an imidazole ring fused to a pyridine, so that the three ring nitrogen atoms are at the 1-, 2-, and 5-position, respectively.
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
2-(7-bromo-4-chloro-1-ethylimidazo[4,5-c]pyridin-2-yl)acetonitrile
INCHI
InChI=1S/C10H8BrClN4/c1-2-16-7(3-4-13)15-8-9(16)6(11)5-14-10(8)12/h5H,2-3H2,1H3
InChIKey
YESNUCZJCVFCOF-UHFFFAOYSA-N
Smiles
CCN1C(=NC2=C1C(=CN=C2Cl)Br)CC#N
Isomeric SMILES
CCN1C(=NC2=C1C(=CN=C2Cl)Br)CC#N
Molecular Weight
299.56
Reaxy-Rn
14357739
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14357739&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
299.550 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
297.962 Da
Monoisotopic Mass
297.962 Da
Topological Polar Surface Area
54.500 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
304.000
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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