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2,4,5,6-TETRACHLORONICOTINONITRILE , CAS No.17824-82-7
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Basic Description
Synonyms
2,4,5,6-tetrachloronicotinonitrile | 17824-82-7 | 2,4,5,6-tetrachloropyridine-3-carbonitrile | tetrachloropyridine-3-carbonitrile | 2,4,5,6-Tetrachloro-nicotinonitrile | C6Cl4N2 | tetrachloro-3-cyanopyridine | SCHEMBL2561930 | DTXSID30352529 | XLORIERFMJHASL-UHFFFAOYSA-N | H
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
3-pyridinecarbonitriles
Intermediate Tree Nodes
Not available
Direct Parent
3-pyridinecarbonitriles
Alternative Parents
Polyhalopyridines 2-halopyridines Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Polyhalopyridine - 3-pyridinecarbonitrile - 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile group.
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
2,4,5,6-tetrachloropyridine-3-carbonitrile
INCHI
InChI=1S/C6Cl4N2/c7-3-2(1-11)5(9)12-6(10)4(3)8
InChIKey
XLORIERFMJHASL-UHFFFAOYSA-N
Smiles
C(#N)C1=C(C(=C(N=C1Cl)Cl)Cl)Cl
Isomeric SMILES
C(#N)C1=C(C(=C(N=C1Cl)Cl)Cl)Cl
PubChem CID
728674
Molecular Weight
241.892
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
241.900 g/mol
XLogP3
3.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
241.879 Da
Monoisotopic Mass
239.882 Da
Topological Polar Surface Area
36.700 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
213.000
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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