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6-nitroimidazo[1,2-a]pyridine - 97%, high purity , CAS No.25045-82-3
Basic Description
Synonyms
FT-0680693 | PB29356 | AC-24364 | AKOS005071329 | MLS000327531 | HMS2396F15 | 8X-0803 | SMR000180479 | EN300-198610 | SY006481 | AMY11988 | BP-20256 | MFCD05863333 | CS-W003249 | SCHEMBL3388838 | AQ-776/42801043 | DTXSID50344325 | IMIDAZO[1,2-A]PYRIDINE,
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
Imidazo[1,2-a]pyridines Nitroaromatic compounds Pyridines and derivatives N-substituted imidazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Imidazopyridine - Imidazo[1,2-a]pyridine - Nitroaromatic compound - N-substituted imidazole - Pyridine - Azole - Imidazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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.
Associated Targets(Human)
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
Pubchem Sid
488190582
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488190582
IUPAC Name
6-nitroimidazo[1,2-a]pyridine
INCHI
InChI=1S/C7H5N3O2/c11-10(12)6-1-2-7-8-3-4-9(7)5-6/h1-5H
InChIKey
RXZZQEFTZIHXRI-UHFFFAOYSA-N
Smiles
C1=CC2=NC=CN2C=C1[N+](=O)[O-]
Isomeric SMILES
C1=CC2=NC=CN2C=C1[N+](=O)[O-]
Molecular Weight
163.1
Reaxy-Rn
139395
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=139395&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
163.130 g/mol
XLogP3
1.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
163.038 Da
Monoisotopic Mass
163.038 Da
Topological Polar Surface Area
63.100 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
192.000
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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