1-(1,1-Dimethylethyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

CAS Registry Number®

1146221-86-4

CAS Name

1-(1,1-Dimethylethyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

Molecular Formula

C13H12F3N3

Molecular Mass

267.25

Cite this Page

1-(1,1-Dimethylethyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1146221-86-4 (retrieved 2024-11-25) (CAS RN: 1146221-86-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    161-163 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H12F3N3/c1-12(2,3)19-7-8(6-17)10-9(13(14,15)16)4-5-18-11(10)19/h4-5,7H,1-3H3

InChIKey

InChIKey=MZYMBYQKJOGFEE-UHFFFAOYSA-N

SMILES

C(#N)C=1C=2C(N(C(C)(C)C)C1)=NC=CC2C(F)(F)F

Canonical SMILES

N#CC1=CN(C2=NC=CC(=C12)C(F)(F)F)C(C)(C)C

Other Names for this Substance

  • 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-dimethylethyl)-4-(trifluoromethyl)-
  • 1-(1,1-Dimethylethyl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
  • 1-tert-Butyl-4-trifluoromethyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
  • 1-tert-Butyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile

CAS INSIGHTSTM
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