Cas no 1369292-33-0 (5-Fluoroisoquinoline-1-carbonitrile)

5-Fluoroisoquinoline-1-carbonitrile structure
1369292-33-0 structure
Product Name:5-Fluoroisoquinoline-1-carbonitrile
CAS No:1369292-33-0
MF:C10H5FN2
MW:172.15850520134
CID:4821822
Update Time:2023-08-19

5-Fluoroisoquinoline-1-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-FLUOROISOQUINOLINE-1-CARBONITRILE
    • 1-Isoquinolinecarbonitrile, 5-fluoro-
    • 5-Fluoroisoquinoline-1-carbonitrile
    • Inchi: 1S/C10H5FN2/c11-9-3-1-2-8-7(9)4-5-13-10(8)6-12/h1-5H
    • InChI Key: ICTFRQQJSRRRSI-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC2C(C#N)=NC=CC=21

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 232
  • XLogP3: 2.3
  • Topological Polar Surface Area: 36.7

5-Fluoroisoquinoline-1-carbonitrile Pricemore >>

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