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methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylate - 97%, high purity
Basic Description
Synonyms
1234615-81-6 | METHYL 6-CHLORO-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE | METHYL 6-CHLORO-7-AZAINDOLE-3-CARBOXYLATE | Methyl 6-chloro-7-azaindo... | 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 6-chloro-, methyl ester | DTXSID50725534 | AKOS024082624 | PB31889 | AS-33555 |
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
Pyrrole carboxylic acids and derivatives 2-halopyridines Substituted pyrroles Aryl chlorides Vinylogous amides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyridine - Pyrrole-3-carboxylic acid or derivatives - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Methyl ester - Pyrrole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - 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
methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
INCHI
InChI=1S/C9H7ClN2O2/c1-14-9(13)6-4-11-8-5(6)2-3-7(10)12-8/h2-4H,1H3,(H,11,12)
InChIKey
FBHORVVBJUWNMG-UHFFFAOYSA-N
Smiles
COC(=O)C1=CNC2=C1C=CC(=N2)Cl
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
210.620 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
210.02 Da
Monoisotopic Mass
210.02 Da
Topological Polar Surface Area
55.000 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
237.000
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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