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3-(6-Chloro-imidazo[1,2-a]pyridin-2-yl)-phenylamine - 95%, high purity , CAS No.439110-86-8
Basic Description
Synonyms
439110-86-8 | 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)aniline | 3-(6-CHLORO-IMIDAZO[1,2-A]PYRIDIN-2-YL)-PHENYLAMINE | 3-(6-Chloro-imidazo[1,2-a]pyridin-2-yl)phenylamine | 3-{6-chloroimidazo[1,2-a]pyridin-2-yl}aniline | SCHEMBL6481319 | DTXSID90363196 | MFCD03012831 | AKOS0
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles
Direct Parent
Phenylimidazoles
Alternative Parents
Imidazopyridines Imidazo[1,2-a]pyridines Aniline and substituted anilines Pyridines and derivatives N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylimidazole - 4-phenylimidazole - Imidazopyridine - Imidazo[1,2-a]pyridine - Aniline or substituted anilines - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Primary amine - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
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-(6-chloroimidazo[1,2-a]pyridin-2-yl)aniline
INCHI
InChI=1S/C13H10ClN3/c14-10-4-5-13-16-12(8-17(13)7-10)9-2-1-3-11(15)6-9/h1-8H,15H2
InChIKey
DGRUBXTUPVOPAI-UHFFFAOYSA-N
Smiles
C1=CC(=CC(=C1)N)C2=CN3C=C(C=CC3=N2)Cl
Isomeric SMILES
C1=CC(=CC(=C1)N)C2=CN3C=C(C=CC3=N2)Cl
Molecular Weight
243.7
Reaxy-Rn
11428189
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11428189&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
243.690 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
243.056 Da
Monoisotopic Mass
243.056 Da
Topological Polar Surface Area
43.300 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
273.000
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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