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4,4'-Bipyridine - analytical standard，anhydrous, high purity , CAS No.553-26-4
Basic Description
Synonyms
4,4'-Dipyridyl hydrate | BB 0219905 | Tox21_201668 | A8015 | AS-11016 | STK868236 | 4-(pyridin-4-yl)pyridine | 4,4' bipyridine | 4,4'-Dipyridine | 4,4'-di-pyridine | AI3-00138 | EU-0068109 | 4-(4-Pyridyl)pyridine | B0469 | EINECS 209-036-3 | SCHEMBL9728 |
Specifications & Purity
analytical standard, anhydrous
Shipped In
Normal
Grade
analytical standard, anhydrous
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Bipyridines and oligopyridines
Intermediate Tree Nodes
Not available
Direct Parent
Bipyridines and oligopyridines
Alternative Parents
Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bipyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
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
bipyridine
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504752063
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504752063
IUPAC Name
4-pyridin-4-ylpyridine
INCHI
InChI=1S/C10H8N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H
InChIKey
MWVTWFVJZLCBMC-UHFFFAOYSA-N
Smiles
C1=CN=CC=C1C2=CC=NC=C2
Isomeric SMILES
C1=CN=CC=C1C2=CC=NC=C2
RTECS
DW1760000
UN Number
2811
Molecular Weight
156.18
Beilstein
23200
Reaxy-Rn
113176
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=113176&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Hygroscopic
Boil Point(°C)
305°C
Melt Point(°C)
109.0—112.0°C
Molecular Weight
156.180 g/mol
XLogP3
1.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
156.069 Da
Monoisotopic Mass
156.069 Da
Topological Polar Surface Area
25.800 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
108.000
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
Citations of This Product
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133 Citations
B2328374