Cas no 643727-35-9 (6-(4-methylpyridin-2-yl)pyridine-3-carboxylic acid)

6-(4-methylpyridin-2-yl)pyridine-3-carboxylic acid structure
643727-35-9 structure
Product Name:6-(4-methylpyridin-2-yl)pyridine-3-carboxylic acid
CAS No:643727-35-9
MF:C12H10N2O2
MW:214.220002651215
CID:424024
PubChem ID:71380019
Update Time:2025-04-19

6-(4-methylpyridin-2-yl)pyridine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • [2,2'-Bipyridine]-5-carboxylic acid, 4'-methyl-
    • 6-(4-methylpyridin-2-yl)pyridine-3-carboxylic acid
    • EN300-1628264
    • 4'-Methyl[2,2'-bipyridine]-5-carboxylic acid
    • DTXSID50802551
    • 643727-35-9
    • 4'-Methyl-[2,2'-bipyridine]-5-carboxylic acid
    • 4'-Methyl-[2,2'-bipyridine]-5-carboxylicacid
    • Inchi: 1S/C12H10N2O2/c1-8-4-5-13-11(6-8)10-3-2-9(7-14-10)12(15)16/h2-7H,1H3,(H,15,16)
    • InChI Key: SPEJJILQWWOYAE-UHFFFAOYSA-N
    • SMILES: OC(C1=CN=C(C=C1)C1C=C(C)C=CN=1)=O

Computed Properties

  • Exact Mass: 214.0743
  • Monoisotopic Mass: 214.074227566g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 257
  • 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: 1.4
  • Topological Polar Surface Area: 63.1?2

Experimental Properties

  • PSA: 63.08

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