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5-(Trifluoromethyl)-1H-imidazo[4,5-b]pyridine - 97%, high purity , CAS No.617678-32-7
Discover 5-(Trifluoromethyl)-1H-imidazo[4,5-b]pyridine by Aladdin Scientific in 97% for only $818.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
5-(Trifluoromethyl)-1H-imidazo[4,5-b]pyridine | 617678-32-7 | 5-(TRIFLUOROMETHYL)-3H-IMIDAZO[4,5-B]PYRIDINE | MFCD13193496 | SCHEMBL7134092 | SCHEMBL18663635 | DTXSID60741609 | JLWCYGRWTPNODY-UHFFFAOYSA-N | AKOS022175894 | AB73272 | DS-11841 | SY120047 | C75899 | EN300-7413650 | A86
Specifications & Purity
≥97%
Storage Temp
Room temperature
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 Imidazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Imidazopyridine - Pyridine - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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
5-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
INCHI
InChI=1S/C7H4F3N3/c8-7(9,10)5-2-1-4-6(13-5)12-3-11-4/h1-3H,(H,11,12,13)
InChIKey
JLWCYGRWTPNODY-UHFFFAOYSA-N
Smiles
C1=CC(=NC2=C1NC=N2)C(F)(F)F
Isomeric SMILES
C1=CC(=NC2=C1NC=N2)C(F)(F)F
PubChem CID
70000032
Molecular Weight
187.12
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
187.120 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
0
Exact Mass
187.036 Da
Monoisotopic Mass
187.036 Da
Topological Polar Surface Area
41.600 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
194.000
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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