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thieno[2,3-c]pyridine-7-carboxylic acid - 97%, high purity
Basic Description
Synonyms
THIENO[2,3-C]PYRIDINE-7-CARBOXYLIC ACID | 852532-64-0 | Thieno[2,3-c]pyridine-7-carboxylicacid | SCHEMBL287634 | DTXSID90668653 | IZOWNOYERNMMAZ-UHFFFAOYSA-N | CJB53264 | MFCD11870049 | AKOS022707829 | PB23924 | AS-50857 | CS-0047851 | EN300-315293 | P11268
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thienopyridines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thienopyridines
Alternative Parents
Pyridinecarboxylic acids Thiophenes Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Thienopyridine - Pyridine - Heteroaromatic compound - Thiophene - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. 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
thieno[2,3-c]pyridine-7-carboxylic acid
INCHI
InChI=1S/C8H5NO2S/c10-8(11)6-7-5(1-3-9-6)2-4-12-7/h1-4H,(H,10,11)
InChIKey
IZOWNOYERNMMAZ-UHFFFAOYSA-N
Smiles
C1=CN=C(C2=C1C=CS2)C(=O)O
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
179.200 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
179.004 Da
Monoisotopic Mass
179.004 Da
Topological Polar Surface Area
78.400 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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