2-(2-fluoro-4-pyridyl)-2-methyl-propanenitrile - ≥97% , CAS No.1256585-40-6

CAS: 1256585-40-6 Cat. No.: M627815 Molecular Weight: 164.18 PubChem CID: 66834555

GRADE & PURITY ≥97%

Synonyms

2-(2-fluoro-4-pyridyl)-2-methyl-propanenitrile | 1256585-40-6 | SCHEMBL897721 | PB40096 | F89113

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-(2-fluoro-4-pyridyl)-2-methyl-propanenitrile | 1256585-40-6 | SCHEMBL897721 | PB40096 | F89113

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C#N)C1=CC(=NC=C1)F
• IUPAC Name: 2-(2-fluoropyridin-4-yl)-2-methylpropanenitrile
• InChIKey: RJTCLSSCOPYTKC-UHFFFAOYSA-N
• INCHI: 1S/C9H9FN2/c1-9(2,6-11)7-3-4-12-8(10)5-7/h3-5H,1-2H3
• Isomeric SMILES: CC(C)(C#N)C1=CC(=NC=C1)F
• PubChem CID: 66834555
• Molecular Weight: 164.18

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Aryl fluorides Heteroaromatic compounds Nitriles Azacyclic compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
• 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