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4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid - 97%, high purity , CAS No.1190321-68-6
Discover 4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid by Aladdin Scientific in 97% for only $3,503.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1190321-68-6 | 4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid | 4-CHLORO-7-AZAINDOLE-6-CARBOXYLIC ACID | MFCD12962667 | 1H-Pyrrolo[2,3-b]pyridine-6-carboxylic acid, 4-chloro- | DTXSID101220567 | AKOS030628586 | SB14234 | AS-53101 | SY097322 | CS-0050945 | P16077 | 4-chloro
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolopyridines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolopyridines
Alternative Parents
Pyridinecarboxylic acids Aryl chlorides Pyrroles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyrrolopyridine - Aryl chloride - Aryl halide - Pyridine - Pyrrole - Heteroaromatic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen 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
4-chloro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
INCHI
InChI=1S/C8H5ClN2O2/c9-5-3-6(8(12)13)11-7-4(5)1-2-10-7/h1-3H,(H,10,11)(H,12,13)
InChIKey
YCRQKZFBXVQIDE-UHFFFAOYSA-N
Smiles
C1=CNC2=C1C(=CC(=N2)C(=O)O)Cl
Isomeric SMILES
C1=CNC2=C1C(=CC(=N2)C(=O)O)Cl
PubChem CID
53412845
Molecular Weight
196.59
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
196.590 g/mol
XLogP3
1.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
196.004 Da
Monoisotopic Mass
196.004 Da
Topological Polar Surface Area
66.000 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
224.000
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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