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4-chloro-1-methyl-1H-pyrrolo[2,3-b]pyridine - 97%, high purity , CAS No.74420-05-6
Basic Description
Synonyms
74420-05-6 | 4-Chloro-1-methyl-1H-pyrrolo[2,3-b]pyridine | N-METHYL-4-CHLORO-7-AZAINDOLE | 4-Chloro-1-methyl-7-azaindole | 4-chloro-1-methylpyrrolo[2,3-b]pyridine | MFCD11501283 | SCHEMBL2727909 | DTXSID70505537 | GYGRXUOVLHHEMC-UHFFFAOYSA-N | AKOS006325228 | DS-0665 | PB20579
Specifications & Purity
≥97%
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
Pyridines and derivatives N-methylpyrroles Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyridine - Substituted pyrrole - Pyridine - N-methylpyrrole - Aryl halide - Aryl chloride - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen 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-1-methylpyrrolo[2,3-b]pyridine
INCHI
InChI=1S/C8H7ClN2/c1-11-5-3-6-7(9)2-4-10-8(6)11/h2-5H,1H3
InChIKey
GYGRXUOVLHHEMC-UHFFFAOYSA-N
Smiles
CN1C=CC2=C(C=CN=C21)Cl
Isomeric SMILES
CN1C=CC2=C(C=CN=C21)Cl
Molecular Weight
166.61
Reaxy-Rn
4393523
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4393523&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
166.610 g/mol
XLogP3
1.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
166.03 Da
Monoisotopic Mass
166.03 Da
Topological Polar Surface Area
17.800 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
151.000
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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