Name: 5-Ethynyl-2,2'-bipyridine - ≥95% , CAS No.162318-34-5
SKU: E191308
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Classe	Pyridines and derivatives
Subclass	Bipyridines and oligopyridines
Intermediate Tree Nodes	Not available
Direct Parent	Bipyridines and oligopyridines
Alternative Parents	Heteroaromatic compounds Azacyclic compounds Acetylides Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Bipyridine - Heteroaromatic compound - Acetylide - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Descrizione	This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Struttura 3D

Certificati (CoA, COO, BSE/TSE e tabella di analisi)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Proprietà chimiche e fisiche

Peso molecolare	180.200 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	180.069 Da
Monoisotopic Mass	180.069 Da
Topological Polar Surface Area	25.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	228.000
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

Calcolatori di soluzioni

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Recensioni

Sorrisi canonici	C#CC1=CN=C(C=C1)C2=CC=CC=N2
IUPAC Name	5-ethynyl-2-pyridin-2-ylpyridine
InChIKey	RQXYJBJCQSECMR-UHFFFAOYSA-N
INCHI	1S/C12H8N2/c1-2-10-6-7-12(14-9-10)11-5-3-4-8-13-11/h1,3-9H
Isomeri SMILES	C#CC1=CN=C(C=C1)C2=CC=CC=N2
Peso molecolare	180.21
Reaxy-Rn	7019991
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7019991&ln=

5-Ethynyl-2,2'-bipyridine - ≥95% , CAS No.162318-34-5

Specifications