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ethyl 3H-imidazo[4,5-c]pyridine-7-carboxylate - 97%, high purity , CAS No.1266114-63-9
Discover ethyl 3H-imidazo[4,5-c]pyridine-7-carboxylate by Aladdin Scientific in 97% for only $1,752.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
ethyl 3H-imidazo[4,5-c]pyridine-7-carboxylate | 1266114-63-9 | 3h-imidazo[4,5-c]pyridine-7-carboxylic acid ethyl ester | 3H-Imidazo[4,5-c]pyridine-7-carboxylic acid, ethyl ester | DTXSID201202514 | MFCD27993824 | AKOS025289952 | SB21082 | AS-52158 | CS-0049483 | ethyl3H-imid
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinecarboxylic acids
Alternative Parents
Imidazo-[4,5-c]pyridines Imidazoles Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Imidazopyridine - Pyridine carboxylic acid - Imidazo-[4,5-c]pyridine - Azole - Imidazole - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - 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 pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
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
ethyl 3H-imidazo[4,5-c]pyridine-7-carboxylate
INCHI
InChI=1S/C9H9N3O2/c1-2-14-9(13)6-3-10-4-7-8(6)12-5-11-7/h3-5H,2H2,1H3,(H,11,12)
InChIKey
VYYJINSKLFNOGW-UHFFFAOYSA-N
Smiles
CCOC(=O)C1=CN=CC2=C1N=CN2
Isomeric SMILES
CCOC(=O)C1=CN=CC2=C1N=CN2
Molecular Weight
191.19
Reaxy-Rn
46248058
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=46248058&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
191.190 g/mol
XLogP3
0.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
191.069 Da
Monoisotopic Mass
191.069 Da
Topological Polar Surface Area
67.900 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
222.000
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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