5-Methyl-2-phenylpyridine - ≥98% , CAS No.27012-22-2

CAS: 27012-22-2 Cat. No.: M292617 Molecular Weight: 169.23 EC Number: 248-163-9

GRADE & PURITY ≥98%

Synonyms

A877050 | 3-methyl-6-phenylpyridine | DTXSID00949783 | 2-phenyl-5-methyl pyridine | Pyridine, 5-methyl-2-phenyl- | FT-0692777 | SCHEMBL404433 | SY100654 | EINECS 248-163-9 | CBA01222 | DS-7491 | C74402 | 5-methyl-2-(phenyl)pyridine | 5-Methyl-2-phenylpyri

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

A877050 | 3-methyl-6-phenylpyridine | DTXSID00949783 | 2-phenyl-5-methyl pyridine | Pyridine, 5-methyl-2-phenyl- | FT-0692777 | SCHEMBL404433 | SY100654 | EINECS 248-163-9 | CBA01222 | DS-7491 | C74402 | 5-methyl-2-(phenyl)pyridine | 5-Methyl-2-phenylpyri

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504753643
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753643
• Canonical Smiles: CC1=CN=C(C=C1)C2=CC=CC=C2
• IUPAC Name: 5-methyl-2-phenylpyridine
• InChIKey: ZYLPQYYLLRBVOK-UHFFFAOYSA-N
• INCHI: 1S/C12H11N/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11/h2-9H,1H3
• Isomeric SMILES: CC1=CN=C(C=C1)C2=CC=CC=C2
• Molecular Weight: 169.23
• Reaxy-Rn: 115189
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115189&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Methylpyridines Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyridine - Methylpyridine - 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: air sensitive
• Boil Point(°C): 166 °C
• Melt Point(°C): 55 °C
• Molecular Weight: 169.220 g/mol
• XLogP3: 2.900
• 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: 149.000
• 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