Cas no 579476-62-3 ([2,4'-Bipyridine]-4-carboxylic acid, 2'-methyl-, methyl ester)

[2,4'-Bipyridine]-4-carboxylic acid, 2'-methyl-, methyl ester structure
579476-62-3 structure
Product Name:[2,4'-Bipyridine]-4-carboxylic acid, 2'-methyl-, methyl ester
CAS No:579476-62-3
MF:C13H12N2O2
MW:228.246582984924
CID:1607629
PubChem ID:69490009
Update Time:2025-04-21

[2,4'-Bipyridine]-4-carboxylic acid, 2'-methyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • [2,4'-Bipyridine]-4-carboxylic acid, 2'-methyl-, methyl ester
    • 579476-62-3
    • DB-198412
    • SCHEMBL5564450
    • 2'-methyl-[2,4']bipyridinyl-4-carboxylic acid methyl ester
    • methyl 2-(2-methylpyridin-4-yl)pyridine-4-carboxylate
    • VLGJAQOVHJDEAJ-UHFFFAOYSA-N
    • Inchi: 1S/C13H12N2O2/c1-9-7-10(3-5-14-9)12-8-11(4-6-15-12)13(16)17-2/h3-8H,1-2H3
    • InChI Key: VLGJAQOVHJDEAJ-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=CN=C(C=1)C1C=CN=C(C)C=1)=O

Computed Properties

  • Exact Mass: 228.08996
  • Monoisotopic Mass: 228.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 270
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 52.1?2

Experimental Properties

  • PSA: 52.08
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