Methyl 6-(2,4-Difluorophenoxy)nicotinate - ≥97% , CAS No.910643-36-6

CAS: 910643-36-6 Cat. No.: M1239404 Molecular Weight: 265.21

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC(=O)C1=CN=C(C=C1)OC2=C(C=C(C=C2)F)F
• IUPAC Name: methyl 6-(2,4-difluorophenoxy)pyridine-3-carboxylate
• InChIKey: MUKGSKCAPATZNF-UHFFFAOYSA-N
• INCHI: 1S/C13H9F2NO3/c1-18-13(17)8-2-5-12(16-7-8)19-11-4-3-9(14)6-10(11)15/h2-7H,1H3
• Molecular Weight: 265.21

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Pyridinecarboxylic acids Phenoxy compounds Phenol ethers Fluorobenzenes Aryl fluorides Methyl esters Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diaryl ether - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Phenol ether - Phenoxy compound - Fluorobenzene - Halobenzene - Aryl halide - Benzenoid - Pyridine - Monocyclic benzene moiety - Aryl fluoride - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• 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

• Molecular Weight: 265.210 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 265.055 Da
• Monoisotopic Mass: 265.055 Da
• Topological Polar Surface Area: 48.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 316.000
• 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