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3H-imidazo[4,5-b]pyridine-7-carboxylic acid - 97%, high purity , CAS No.78316-08-2
Discover 3H-imidazo[4,5-b]pyridine-7-carboxylic acid by Aladdin Scientific in 97% for only $565.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
3H-Imidazo[4,5-b]pyridine-7-carboxylic acid | 78316-08-2 | 1H-imidazo[4,5-b]pyridine-7-carboxylic acid | 3H-IMIDAZO[4,5-B]PYRIDINE-7-CARBOXYLICACID | SCHEMBL1664968 | DTXSID80392435 | CEZJOKOKGRAPMR-UHFFFAOYSA-N | MFCD05723323 | NSC371788 | AKOS005208161 | NSC-371788 | PB26169
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
Pyridinecarboxylic acids Vinylogous amides Imidazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Imidazopyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridine - Azole - Imidazole - Vinylogous amide - Heteroaromatic compound - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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
1H-imidazo[4,5-b]pyridine-7-carboxylic acid
INCHI
InChI=1S/C7H5N3O2/c11-7(12)4-1-2-8-6-5(4)9-3-10-6/h1-3H,(H,11,12)(H,8,9,10)
InChIKey
CEZJOKOKGRAPMR-UHFFFAOYSA-N
Smiles
C1=CN=C2C(=C1C(=O)O)NC=N2
Isomeric SMILES
C1=CN=C2C(=C1C(=O)O)NC=N2
Molecular Weight
163.136
Reaxy-Rn
24650053
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24650053&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
163.130 g/mol
XLogP3
0.300
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
163.038 Da
Monoisotopic Mass
163.038 Da
Topological Polar Surface Area
78.900 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
197.000
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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