2-(Cyclopropylmethoxy)-5-fluoropyridine - ≥95% , CAS No.1305322-92-2

CAS: 1305322-92-2 Cat. No.: C181071 Summenformel: C₉H₁₀FNO Molekulargewicht: 167.2

GRADE & PURITY ≥95%

Synonyms

2-(Cyclopropylmethoxy)-5-fluoropyridine|1305322-92-2|DTXSID20716555|MFCD18914534|AKOS015892230|SB52929|BS-20446|Pyridine, 2-(cyclopropylmethoxy)-5-fluoro-|F6608-1777

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2-(Cyclopropylmethoxy)-5-fluoropyridine | 1305322-92-2 | DTXSID20716555 | MFCD18914534 | AKOS015892230 | SB52929 | BS-20446 | Pyridine, 2-(cyclopropylmethoxy)-5-fluoro- | F6608-1777

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

C1CC1COC2=NC=C(C=C2)F

IUPAC Name

2-(cyclopropylmethoxy)-5-fluoropyridine

InChIKey

YXNAPJMPQRICQG-UHFFFAOYSA-N

INCHI

1S/C9H10FNO/c10-8-3-4-9(11-5-8)12-6-7-1-2-7/h3-5,7H,1-2,6H2

Isomere SMILES

C1CC1COC2=NC=C(C=C2)F

Molekulargewicht

167.2

Reaxy-Rn

39033667

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39033667&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Pyridines and derivatives Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Pyridine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl 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.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Molekulargewicht: 167.180 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 167.075 Da
• Monoisotopic Mass: 167.075 Da
• Topological Polar Surface Area: 22.100 Ų
• Heavy Atom Count: 12
• 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