2-Methoxy-5-phenylpyridine - ≥95% , CAS No.53698-47-8

CAS: 53698-47-8 Cat. No.: M185070 Fórmula: C₁₂H₁₁NO Peso molecular: 185.2

GRADE & PURITY ≥95%

Synonyms

FT-0733180 | DTXSID50673501 | MFCD11044373 | AKOS006309456 | Z1198307213 | SB52843 | SCHEMBL1422182 | 2-METHOXY-5-PHENYLPYRIDINE | E80291 | BS-28687 | EN300-98338

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0733180 | DTXSID50673501 | MFCD11044373 | AKOS006309456 | Z1198307213 | SB52843 | SCHEMBL1422182 | 2-METHOXY-5-PHENYLPYRIDINE | E80291 | BS-28687 | EN300-98338

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

COC1=NC=C(C=C1)C2=CC=CC=C2

IUPAC Name

2-methoxy-5-phenylpyridine

InChIKey

QDCCBGFIBKJXNF-UHFFFAOYSA-N

INCHI

1S/C12H11NO/c1-14-12-8-7-11(9-13-12)10-5-3-2-4-6-10/h2-9H,1H3

SMILES isoméricas

COC1=NC=C(C=C1)C2=CC=CC=C2

Peso molecular

185.2

Reaxy-Rn

122576

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=122576&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Alkyl aryl ethers Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylpyridine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 185.220 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 185.084 Da
• Monoisotopic Mass: 185.084 Da
• Topological Polar Surface Area: 22.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 166.000
• 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