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5-Bromo-2-methylnicotinonitrile - 95%, high purity , CAS No.956276-47-4
Discover 5-Bromo-2-methylnicotinonitrile by Aladdin Scientific in 95% for only $1,479.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
5-BROMO-2-METHYLNICOTINONITRILE | 956276-47-4 | 5-bromo-2-methylpyridine-3-carbonitrile | SCHEMBL17403581 | DTXSID50682496 | CMZODOCHMREYBB-UHFFFAOYSA-N | MFCD18255108 | AKOS015999296 | GS-5038 | CS-0188489 | D82435
Specifications & Purity
≥95%
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
Methylpyridines Aryl bromides Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-pyridinecarbonitrile - Methylpyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Cyanide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - 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
5-bromo-2-methylpyridine-3-carbonitrile
INCHI
InChI=1S/C7H5BrN2/c1-5-6(3-9)2-7(8)4-10-5/h2,4H,1H3
InChIKey
CMZODOCHMREYBB-UHFFFAOYSA-N
Smiles
CC1=C(C=C(C=N1)Br)C#N
Isomeric SMILES
CC1=C(C=C(C=N1)Br)C#N
Molecular Weight
197
Reaxy-Rn
11245101
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11245101&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
197.030 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
195.964 Da
Monoisotopic Mass
195.964 Da
Topological Polar Surface Area
36.700 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
160.000
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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