Cas no 191535-55-4 (2-(propan-2-yl)pyridine-4-carboxylic acid)

2-(propan-2-yl)pyridine-4-carboxylic acid structure
191535-55-4 structure
Product Name:2-(propan-2-yl)pyridine-4-carboxylic acid
CAS No:191535-55-4
MF:C9H11NO2
MW:165.189142465591
MDL:MFCD13187882
CID:116016
PubChem ID:22507715
Update Time:2025-04-18

2-(propan-2-yl)pyridine-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Pyridinecarboxylicacid, 2-(1-methylethyl)-
    • 2-Isopropylisonicotinic acid
    • 2-propan-2-ylpyridine-4-carboxylic acid
    • 4-Pyridinecarboxylicacid,2-(1-methylethyl)-(9CI)
    • 2-(propan-2-yl)pyridine-4-carboxylic acid
    • XEAKNFPXTFNCLF-UHFFFAOYSA-N
    • AKOS022713747
    • DS-18808
    • DTXSID40626364
    • 4-Pyridinecarboxylic acid, 2-(1-methylethyl)-
    • MFCD13187882
    • 191535-55-4
    • 2-Isopropylisonicotinicacid
    • SY106224
    • GS2351
    • SCHEMBL1759894
    • CS-0102118
    • F52821
    • A912598
    • 2-isopropyl-isonicotinic acid
    • 2-ISOPROPYLPYRIDINE-4-CARBOXYLIC ACID
    • DB-093809
    • MDL: MFCD13187882
    • Inchi: 1S/C9H11NO2/c1-6(2)8-5-7(9(11)12)3-4-10-8/h3-6H,1-2H3,(H,11,12)
    • InChI Key: XEAKNFPXTFNCLF-UHFFFAOYSA-N
    • SMILES: OC(C1C=CN=C(C=1)C(C)C)=O

Computed Properties

  • Exact Mass: 165.078978594g/mol
  • Monoisotopic Mass: 165.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 168
  • 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
  • Topological Polar Surface Area: 50.2?2
  • Surface Charge: 0
  • Tautomer Count: 4
  • XLogP3: 1.5

Experimental Properties

  • Boiling Point: 350.7±30.0°C at 760 mmHg

2-(propan-2-yl)pyridine-4-carboxylic acid Security Information

  • Hazard Statement: H315-H319-H335
  • Storage Condition:Inert atmosphere,2-8°C

2-(propan-2-yl)pyridine-4-carboxylic acid Pricemore >>

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