6-(4-Acetyl-1-piperazinyl)-2-chloro-5-fluoro-3-pyridinecarbonitrile

CAS Registry Number®

113237-21-1
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CAS Name

6-(4-Acetyl-1-piperazinyl)-2-chloro-5-fluoro-3-pyridinecarbonitrile

Molecular Formula

C12H12ClFN4O

Molecular Mass

282.70

Cite this Page

6-(4-Acetyl-1-piperazinyl)-2-chloro-5-fluoro-3-pyridinecarbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=113237-21-1 (retrieved 2024-09-09) (CAS RN: 113237-21-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    166-167 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C12H12ClFN4O/c1-8(19)17-2-4-18(5-3-17)12-10(14)6-9(7-15)11(13)16-12/h6H,2-5H2,1H3

InChIKey

InChIKey=IHECUHYXUSTMBQ-UHFFFAOYSA-N

SMILES

FC1=C(N=C(Cl)C(C#N)=C1)N2CCN(C(C)=O)CC2

Canonical SMILES

N#CC=1C=C(F)C(=NC1Cl)N2CCN(C(=O)C)CC2

Other Names for this Substance

  • 3-Pyridinecarbonitrile, 6-(4-acetyl-1-piperazinyl)-2-chloro-5-fluoro-
  • Piperazine, 1-acetyl-4-(6-chloro-5-cyano-3-fluoro-2-pyridinyl)-
  • 6-(4-Acetyl-1-piperazinyl)-2-chloro-5-fluoro-3-pyridinecarbonitrile