4-{[1,3-Dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}benzaldehyde
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Basic information
- CAS
1031928-98-9- Standard SMILES
Cc1nn(C)c2nc(Oc3ccc(C=O)cc3)cc(C(F)(F)F)c12- InChIKey
UZCZKLCHKADPFJ-UHFFFAOYSA-N- Molecular formula
- C16H12F3N3O2
- Average molar mass
- 335.28 g/mol
- Monoisotopic mass
- 335.08816112
Names & identifiers
- Preferred name
- 4-{[1,3-Dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}benzaldehyde
- IUPAC
- 4-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxybenzaldehyde
- English name
- 4-{[1,3-Dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}benzaldehyde
- Molecular formula
- C16H12F3N3O2
- Molecular weight
- 335.28
Names & synonyms
1031928-98-94-((1,3-Dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl)oxy)benzaldehyde4-{[1,3-Dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy}benzaldehyde4-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]oxybenzaldehyde4-([1,3-Dimethyl-4-(trifluoromethyl)-1h-pyrazolo[3,4-b]pyridin-6-yl]oxy)benzaldehydeMFCD09998164AKOS027447929AS-8793CS-03254344-{[1,3-Dimethyl-4-(trifluoromethyl)-1H-pyrazolo-[3,4-b]pyridin-6-yl]oxy}benzaldehydeBenzaldehyde, 4-[[1,3-dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]oxy]-
Database identifiers
- CAS
1031928-98-9- PubChem CID
- 26985643
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 454
Physicochemical properties
- Boiling point
- 458.9 · 458.9±45.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 1.94 · 1.94±0.30(Predicted)
- Hazard Codes
- Xi
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- hazard_code
- Xi
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Compound notes
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