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3-methylpyridine-4-carbonitrile - 97%, high purity , CAS No.7584-05-6
Discover 3-methylpyridine-4-carbonitrile by Aladdin Scientific in 97% for only $1,751.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
3-methylpyridine-4-carbonitrile | EINECS 231-491-1 | 4-PYRIDINECARBONITRILE, 3-METHYL- | 4-Cyano-3-methylpyridine | 3-Methylisonicotinonitrile | 3-METHYL-ISONICOTINONITRILE | W-204311 | 3-METHYL-4-CYANOPYRIDINE | AKOS015842250 | 4-Pyridinecarbonitrile,3-m
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Methylpyridines
Intermediate Tree Nodes
Not available
Direct Parent
Methylpyridines
Alternative Parents
Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Methylpyridine - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl 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
3-methylpyridine-4-carbonitrile
INCHI
InChI=1S/C7H6N2/c1-6-5-9-3-2-7(6)4-8/h2-3,5H,1H3
InChIKey
SFNWPKSTEHBXSY-UHFFFAOYSA-N
Smiles
CC1=C(C=CN=C1)C#N
Isomeric SMILES
CC1=C(C=CN=C1)C#N
Molecular Weight
118.139
Reaxy-Rn
111878
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111878&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
118.140 g/mol
XLogP3
0.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
118.053 Da
Monoisotopic Mass
118.053 Da
Topological Polar Surface Area
36.700 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
133.000
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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