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2-(2-Fluorophenyl)-1H-imidazo[4，5-c]pyridine - ≥99%, high purity , CAS No.89075-43-4
Basic Description
Specifications & Purity
≥99%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles
Direct Parent
Phenylimidazoles
Alternative Parents
Imidazo-[4,5-c]pyridines Fluorobenzenes Pyridines and derivatives Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylimidazole - Imidazopyridine - Imidazo-[4,5-c]pyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organic nitrogen compound - 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.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine
INCHI
InChI=1S/C12H8FN3/c13-9-4-2-1-3-8(9)12-15-10-5-6-14-7-11(10)16-12/h1-7H,(H,15,16)
InChIKey
DFXVIZQVJLSYOJ-UHFFFAOYSA-N
Smiles
C1=CC=C(C(=C1)C2=NC3=C(N2)C=NC=C3)F
Isomeric SMILES
C1=CC=C(C(=C1)C2=NC3=C(N2)C=NC=C3)F
PubChem CID
13450778
Molecular Weight
213.21
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
213.210 g/mol
XLogP3
2.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
213.07 Da
Monoisotopic Mass
213.07 Da
Topological Polar Surface Area
41.600 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
248.000
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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