Cas no 1226205-64-6 (2-(4-Methylphenyl)isonicotinic Acid)

2-(4-Methylphenyl)isonicotinic Acid structure
1226205-64-6 structure
Product Name:2-(4-Methylphenyl)isonicotinic Acid
CAS No:1226205-64-6
MF:C13H11NO2
MW:213.231943368912
MDL:MFCD14666476
CID:1004465
PubChem ID:50999396
Update Time:2025-04-20

2-(4-Methylphenyl)isonicotinic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(p-Tolyl)isonicotinic acid
    • 5-(4-Ethylphenyl)-nicotinic acid
    • 2-(4-Ethylphenyl)-isonicotinic acid
    • 2-(4-Methylphenyl)-isonicotinic acid
    • 2-(3-Methylphenyl)-isonicotinic acid
    • 2-(2-Methoxyphenyl)-isonicotinic acid
    • 2-(4-Methylphenyl)isonicotinic acid
    • 2-(4-methylphenyl)pyridine-4-carboxylic acid
    • 2-(p-Tolyl)isonicotinicacid
    • CS-0208113
    • 1226205-64-6
    • MFCD14666476
    • DTXSID40679496
    • TS-03034
    • BZB20564
    • 4-Pyridinecarboxylic acid, 2-(4-methylphenyl)-
    • AKOS015892243
    • 2-(4-Methylphenyl)isonicotinic Acid
    • MDL: MFCD14666476
    • Inchi: 1S/C13H11NO2/c1-9-2-4-10(5-3-9)12-8-11(13(15)16)6-7-14-12/h2-8H,1H3,(H,15,16)
    • InChI Key: MEIHBEUENXGUND-UHFFFAOYSA-N
    • SMILES: OC(C1C=CN=C(C=1)C1C=CC(C)=CC=1)=O

Computed Properties

  • Exact Mass: 213.078978594g/mol
  • Monoisotopic Mass: 213.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 246
  • 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: 2.7
  • Topological Polar Surface Area: 50.2?2

2-(4-Methylphenyl)isonicotinic Acid Pricemore >>

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