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5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine - 97%, high purity , CAS No.1060803-15-7
Basic Description
Synonyms
MFCD06659754 | PS-16271 | SCHEMBL8388284 | P20217 | 1060803-15-7 | 2,3-Dihydro-5-methoxy-1H-pyrrolo[2,3-b]pyridine | SY321746 | DTXSID001244851 | AB26242 | AKOS006293867 | 5-METHOXY-2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDINE | 5-Methoxy-2,3-dihydro-7-azaindole
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
Secondary alkylarylamines Alkyl aryl ethers Pyridines and derivatives Imidolactams Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyridine - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Pyridine - Imidolactam - Heteroaromatic compound - Secondary amine - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - 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
5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
INCHI
InChI=1S/C8H10N2O/c1-11-7-4-6-2-3-9-8(6)10-5-7/h4-5H,2-3H2,1H3,(H,9,10)
InChIKey
PGLJXNZHDZDAPQ-UHFFFAOYSA-N
Smiles
COC1=CC2=C(NCC2)N=C1
Isomeric SMILES
COC1=CC2=C(NCC2)N=C1
Alternate CAS
1060803-15-7
PubChem CID
55255548
Molecular Weight
150.18
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
150.180 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
150.079 Da
Monoisotopic Mass
150.079 Da
Topological Polar Surface Area
34.200 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
140.000
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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