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2,3-Cyclopentenopyridine - 95%, high purity , CAS No.533-37-9
Basic Description
Synonyms
2,3-Cyclopentenopyridine | 533-37-9 | 6,7-Dihydro-5H-cyclopenta[b]pyridine | Pyrindan | 2,3-Cyclopenteno pyridine | 5H-1-Pyrindine, 6,7-dihydro- | 6,7-Dihydro-5H-cyclopenta(b)pyridine | 5H-cyclopenta[b]pyridine, 6,7-dihydro- | 5H,6H,7H-cyclopenta[b]pyridine | MFCD00005933 |
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyridines and derivatives
Alternative Parents
Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
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
6,7-dihydro-5H-cyclopenta[b]pyridine
INCHI
InChI=1S/C8H9N/c1-3-7-4-2-6-9-8(7)5-1/h2,4,6H,1,3,5H2
InChIKey
KRNSYSYRLQDHDK-UHFFFAOYSA-N
Smiles
C1CC2=C(C1)N=CC=C2
Isomeric SMILES
C1CC2=C(C1)N=CC=C2
WGK Germany
3
Molecular Weight
119.16
Beilstein
20(5)6,237
Reaxy-Rn
111920
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111920&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.544
Flash Point(°F)
152.6 °F
Flash Point(°C)
67°(153°F)
Boil Point(°C)
87-88°C/11mmHg
Molecular Weight
119.160 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
119.073 Da
Monoisotopic Mass
119.073 Da
Topological Polar Surface Area
12.900 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
101.000
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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I2315004