Cas no 121697-66-3 (3-Pyridinecarbonitrile,labeled with deuterium (9CI))

3-Pyridinecarbonitrile,labeled with deuterium (9CI) structure
121697-66-3 structure
Product Name:3-Pyridinecarbonitrile,labeled with deuterium (9CI)
CAS No:121697-66-3
MF:C7H5N
MW:103.121301412582
CID:133395
PubChem ID:186003
Update Time:2025-04-19

3-Pyridinecarbonitrile,labeled with deuterium (9CI) Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarbonitrile,labeled with deuterium (9CI)
    • 3-PYRIDYLACETYLENE
    • 3-Ethynylpyridine
    • MFCD02177459
    • AM84834
    • EN300-103704
    • 3-ethynyl-pyridine
    • pyridine, 3-ethynyl-
    • DTXSID70947958
    • AKOS005257065
    • CLRPXACRDTXENY-UHFFFAOYSA-N
    • 2510-23-8
    • 3-ethynyl pyridine
    • 3-pyridyl acetylene
    • CS-W008813
    • 121697-66-3
    • PB29186
    • 3-Ethynylpyridine, 98%
    • 3-Pyridinecarbonitrile,labeled with deuterium(9ci)
    • E0560
    • 3-Pyridinylacetylene; 3-Pyridylacetylene; 3-Pyridylethyne
    • FT-0651034
    • A800231
    • SCHEMBL8840
    • HY-34604
    • 3-(ethynyl)pyridine
    • pyridin-3-ylacetylene
    • InChI=1/C7H5N/c1-2-7-4-3-5-8-6-7/h1,3-6
    • meta-ethynylpyridine
    • AS-11323
    • 3-ethylnyl pyridine
    • CHEMBL394630
    • BDBM50622790
    • DTXCID401376206
    • FE35096
    • E67159
    • DB-006428
    • 628-508-3
    • DB-348462
    • 838-945-3
    • Inchi: 1S/C7H5N/c1-2-7-4-3-5-8-6-7/h1,3-6H
    • InChI Key: CLRPXACRDTXENY-UHFFFAOYSA-N
    • SMILES: N1C=CC=C(C#C)C=1

Computed Properties

  • Exact Mass: 103.042199164g/mol
  • Monoisotopic Mass: 103.042199164g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 109
  • 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: 1.1
  • Topological Polar Surface Area: 12.9?2
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