Cas no 1214349-86-6 (2-Fluoro-5-phenylpyridine-3-carboxylic acid)

2-Fluoro-5-phenylpyridine-3-carboxylic acid structure
1214349-86-6 structure
Product Name:2-Fluoro-5-phenylpyridine-3-carboxylic acid
CAS No:1214349-86-6
MF:C12H8FNO2
MW:217.195826530457
CID:4764248
Update Time:2023-08-15

2-Fluoro-5-phenylpyridine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-fluoro-5-phenylpyridine-3-carboxylic acid
    • 2-Fluoro-5-phenylnicotinic acid
    • 2-Fluoro-5-phenyl-3-pyridinecarboxylic acid
    • 2-Fluoro-5-phenylpyridine-3-carboxylic acid
    • Inchi： 1S/C12H8FNO2/c13-11-10(12(15)16)6-9(7-14-11)8-4-2-1-3-5-8/h1-7H,(H,15,16)
    • InChI Key： VWCVAVZUHKUAAF-UHFFFAOYSA-N
    • SMILES： FC1=C(C(=O)O)C=C(C=N1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 217.054
  • Monoisotopic Mass: 217.054
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 253
  • 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: 2.4
  • Topological Polar Surface Area: 50.2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 417.6±45.0 °C at 760 mmHg
  • Flash Point: 206.4±28.7 °C
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

2-Fluoro-5-phenylpyridine-3-carboxylic acid Security Information

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