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2,4-Dibromonicotinonitrile - 98%, high purity , CAS No.1152617-14-5
Basic Description
Synonyms
2,4-Dibromonicotinonitrile | 1152617-14-5 | 2,4-dibromopyridine-3-carbonitrile | 3-Pyridinecarbonitrile, 2,4-dibromo- | MFCD22041881 | 2,4-Dibromo-nicotinonitrile | SCHEMBL565956 | QQRBWXRCIWAXAU-UHFFFAOYSA-N | CWB61714 | BS-19463 | SY285973 | CS-0196520 | EN300-153996 | S11304 | A8
Specifications & Purity
≥98%
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 bromides Heteroaromatic compounds Nitriles Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Polyhalopyridine - 3-pyridinecarbonitrile - 2-halopyridine - Aryl bromide - Aryl halide - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Cyanide - 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-dibromopyridine-3-carbonitrile
INCHI
InChI=1S/C6H2Br2N2/c7-5-1-2-10-6(8)4(5)3-9/h1-2H
InChIKey
QQRBWXRCIWAXAU-UHFFFAOYSA-N
Smiles
C1=CN=C(C(=C1Br)C#N)Br
Isomeric SMILES
C1=CN=C(C(=C1Br)C#N)Br
Molecular Weight
261.9
Reaxy-Rn
19182348
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19182348&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
261.899 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
261.856 Da
Monoisotopic Mass
259.858 Da
Topological Polar Surface Area
36.700 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
162.000
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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