Basic information
- CAS
428837-96-1- Standard SMILES
Cc1cc(C(F)(F)F)c2c(C)nn(-c3ccccc3)c2n1- InChIKey
OLENTMMSLRYFSR-UHFFFAOYSA-N- Molecular formula
- C15H12F3N3
- Average molar mass
- 291.27 g/mol
- Monoisotopic mass
- 291.09833188
Names & identifiers
- Preferred name
- 3,6-Dimethyl-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo(3,4-B)pyridine
- IUPAC
- 3,6-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
Names & synonyms
3,6-dimethyl-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine428837-96-13,6-DIMETHYL-1-PHENYL-4-(TRIFLUOROMETHYL)-1H-PYRAZOLO(3,4-B)PYRIDINERefChem:487593663-819-83,6-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridineEnamine_005132MLS001178490CHEMBL1702820HMS1408J06HMS2783F24AKOS000311330
Show more names
CCG-149369IDI1_007719SMR000476370AH-487/40652384SR-01000236513SR-01000236513-1Z554264553,6-dimethyl-4-trifluoromethyl-1-phenyl-1h-pyrazolo[3,4-b]pyridine
Database identifiers
- CAS
428837-96-1- PubChem CID
- 882736
- ChEMBL
CHEMBL1702820- EC Number
- 663-819-8
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 368
Experimental & physicochemical properties
Solubility<0.2 [ug/mL] (The mean of the results at pH 7.4)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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