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6-Amino-1-[4-(chloro-difluoro-methoxy)-phenyl]-3-methyl-4,4-bis-trifluoromethyl-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

6-Amino-1-[4-(chloro-difluoro-methoxy)-phenyl]-3-methyl-4,4-bis-trifluoromethyl-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SpectraBase Compound ID 3lL7wAnuYT8
InChI InChI=1S/C17H10ClF8N5O/c1-7-11-13(31(30-7)8-2-4-9(5-3-8)32-17(18,25)26)29-12(28)10(6-27)14(11,15(19,20)21)16(22,23)24/h2-5,29H,28H2,1H3
InChIKey UHBBTOGQNNXWJG-UHFFFAOYSA-N
Mol Weight 487.74 g/mol
Molecular Formula C17H10ClF8N5O
Exact Mass 487.044613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1O01roK6W8
Name 6-Amino-1-[4-(chloro-difluoro-methoxy)-phenyl]-3-methyl-4,4-bis-trifluoromethyl-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H10ClF8N5O
InChI InChI=1S/C17H10ClF8N5O/c1-7-11-13(31(30-7)8-2-4-9(5-3-8)32-17(18,25)26)29-12(28)10(6-27)14(11,15(19,20)21)16(22,23)24/h2-5,29H,28H2,1H3
InChIKey UHBBTOGQNNXWJG-UHFFFAOYSA-N
Molecular Weight 487.741 g/mol
SMILES N1c2c(C(C(=C1N)C#N)(C(F)(F)F)C(F)(F)F)c(n[n]2-c1ccc(OC(Cl)(F)F)cc1)C
SPLASH splash10-014r-2562900000-7ab5bf3a503d8ec93ea5
Wiley ID 1464187