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2-m-Tolylpyridine - >98%(HPLC), high purity , CAS No.4373-61-9
Basic Description
Synonyms
2-(m-Tolyl)pyridine | 2-(3-methylphenyl)pyridine | 4373-61-9 | 2-M-tolylpyridine | 182925-44-6 | 2-m-Tolyl-pyridine | SCHEMBL215712 | DTXSID00963106 | JMTCQDNRTSGBGC-UHFFFAOYSA-N | AKOS004113795 | DS-7195 | SB66620 | BB 0222820 | CS-0129435 | O10534
Specifications & Purity
≥98%(HPLC)
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Phenylpyridines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyridines
Alternative Parents
Toluenes Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyridine - Toluene - Benzenoid - Monocyclic benzene moiety - 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 phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
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-(3-methylphenyl)pyridine
INCHI
InChI=1S/C12H11N/c1-10-5-4-6-11(9-10)12-7-2-3-8-13-12/h2-9H,1H3
InChIKey
JMTCQDNRTSGBGC-UHFFFAOYSA-N
Smiles
CC1=CC(=CC=C1)C2=CC=CC=N2
Isomeric SMILES
CC1=CC(=CC=C1)C2=CC=CC=N2
Reaxy-Rn
117204
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=117204&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
169.220 g/mol
XLogP3
3.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
169.089 Da
Monoisotopic Mass
169.089 Da
Topological Polar Surface Area
12.900 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
155.000
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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