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6-bromothieno[3,2-b]pyridin-7-ol - 97%, high purity , CAS No.875340-62-8
Basic Description
Synonyms
6-bromothieno[3,2-b]pyridin-7-ol | 875340-62-8 | MFCD28139683 | 6-bromo-4H-thieno[3,2-b]pyridin-7-one | SCHEMBL3566329 | AKOS037649402 | BS-18201 | SY267392 | C91359 | EN300-2935067
Specifications & Purity
≥97%
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
Pyridines and derivatives Aryl bromides Vinylogous amides Thiophenes Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyridine - Aryl bromide - Aryl halide - Pyridine - Thiophene - Vinylogous amide - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen 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
6-bromo-4H-thieno[3,2-b]pyridin-7-one
INCHI
InChI=1S/C7H4BrNOS/c8-4-3-9-5-1-2-11-7(5)6(4)10/h1-3H,(H,9,10)
InChIKey
VILZHAAMUURYBH-UHFFFAOYSA-N
Smiles
C1=CSC2=C1NC=C(C2=O)Br
Isomeric SMILES
C1=CSC2=C1NC=C(C2=O)Br
PubChem CID
13601084
Molecular Weight
230.08
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
230.080 g/mol
XLogP3
2.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
228.92 Da
Monoisotopic Mass
228.92 Da
Topological Polar Surface Area
57.300 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
228.000
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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