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1H-pyrrolo[2,3-c]pyridine-5-carbonitrile - 97%, high purity , CAS No.1082041-09-5
Discover 1H-pyrrolo[2,3-c]pyridine-5-carbonitrile by Aladdin Scientific in 97% for only $3,106.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1H-pyrrolo[2,3-c]pyridine-5-carbonitrile | 1082041-09-5 | 5-CYANO-6-AZAINDOLE | MFCD11845540 | SCHEMBL3831376 | DTXSID00676825 | AMY34618 | AKOS016001761 | PB17855 | AS-50829 | SY097812 | CS-0052495 | FT-0654409 | P11204 | EN300-4269271 | A801823 | Z1255466100
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
Pyridines and derivatives Pyrroles Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyridine - Pyridine - Heteroaromatic compound - Pyrrole - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen 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
1H-pyrrolo[2,3-c]pyridine-5-carbonitrile
INCHI
InChI=1S/C8H5N3/c9-4-7-3-6-1-2-10-8(6)5-11-7/h1-3,5,10H
InChIKey
HJFIVMKPHXFLBV-UHFFFAOYSA-N
Smiles
C1=CNC2=CN=C(C=C21)C#N
Isomeric SMILES
C1=CNC2=CN=C(C=C21)C#N
Molecular Weight
143.149
Reaxy-Rn
32517098
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32517098&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
143.150 g/mol
XLogP3
1.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
143.048 Da
Monoisotopic Mass
143.048 Da
Topological Polar Surface Area
52.500 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
193.000
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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