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

CAS: 53698-47-8 Cat. No.: M185070 Summenformel: C₁₂H₁₁NO Molekulargewicht: 185.2

GRADE & PURITY ≥95%

Synonyms

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

Storage

Raumtemperatur

Shipped In

Normal

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥95%

Storage

Raumtemperatur

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

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

Isomere SMILES

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

Molekulargewicht

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
    • Klasse Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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