Cas no 960371-08-8 (2-(5-fluoro-2-pyridyl)acetonitrile)

2-(5-fluoro-2-pyridyl)acetonitrile structure
960371-08-8 structure
Product Name:2-(5-fluoro-2-pyridyl)acetonitrile
CAS No:960371-08-8
MF:C7H5FN2
MW:136.126404523849
MDL:MFCD09923768
CID:1034414
PubChem ID:53416316
Update Time:2024-10-25

2-(5-fluoro-2-pyridyl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-fluoro-2-Pyridineacetonitrile
    • 2-(5-Fluoropyridin-2-yl)acetonitrile
    • 5-FLUOROPYRIDINE-2-ACETONITRILE
    • QC-5064
    • 5-Fluoro-2-pyridineacetonitrile (ACI)
    • 2-(5-fluoro-2-pyridyl)acetonitrile
    • DB-083249
    • DS-6934
    • Z1098233918
    • AKOS012506465
    • J-506132
    • 960371-08-8
    • DTXSID50697146
    • SCHEMBL3973895
    • EN300-96328
    • CS-D0880
    • MFCD09923768
    • KVZUOWYTUQYRMV-UHFFFAOYSA-N
    • O10489
    • (5-Fluoropyridin-2-yl)acetonitrile
    • MDL: MFCD09923768
    • Inchi: 1S/C7H5FN2/c8-6-1-2-7(3-4-9)10-5-6/h1-2,5H,3H2
    • InChI Key: KVZUOWYTUQYRMV-UHFFFAOYSA-N
    • SMILES: N#CCC1C=CC(F)=CN=1

Computed Properties

  • Exact Mass: 136.04400
  • Monoisotopic Mass: 136.044
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 149
  • 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: 36.7A^2
  • XLogP3: 0.6

Experimental Properties

  • Density: 1.204
  • Boiling Point: 221.826°C at 760 mmHg
  • Flash Point: 87.958°C
  • Refractive Index: 1.51
  • PSA: 36.68000
  • LogP: 1.28678

2-(5-fluoro-2-pyridyl)acetonitrile Pricemore >>

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2-(5-fluoro-2-pyridyl)acetonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Lithium diisopropylamide Solvents: Tetrahydrofuran ;  -78 °C; -78 °C → rt; 2 h, rt
1.2 Reagents: Ammonium chloride Solvents: Water
Reference
Preparation of pyridopyrimidine derivatives and related compounds for treating spinal muscular atrophy
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Lithium diisopropylamide Solvents: Tetrahydrofuran ;  rt → -78 °C; 15 min, -78 °C
1.2 Solvents: Tetrahydrofuran ;  30 min, -78 °C; -78 °C → 0 °C; 1 h, 0 °C
1.3 Reagents: Ammonium chloride Solvents: Water
Reference
Benzamide derivatives useful in the treatment of hydroxysteroid dehydrogenase-mediated diseases and their preparation
, World Intellectual Property Organization, , ,

2-(5-fluoro-2-pyridyl)acetonitrile Raw materials

2-(5-fluoro-2-pyridyl)acetonitrile Preparation Products

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