3-Bromo-4-methyl-6-(trifluoromethyl)isothiazolo[5,4-b]pyridine
Completing data — refresh the page later to see the latest
Basic information
- CAS
296797-18-7- Standard SMILES
Cc1cc(C(F)(F)F)nc2snc(Br)c12- InChIKey
IGQITGHMHKUCAQ-UHFFFAOYSA-N- Molecular formula
- C8H4BrF3N2S
- Average molar mass
- 297.1 g/mol
- Monoisotopic mass
- 295.92307
Names & identifiers
- Preferred name
- 3-Bromo-4-methyl-6-(trifluoromethyl)isothiazolo[5,4-b]pyridine
- IUPAC
- 3-bromo-4-methyl-6-(trifluoromethyl)-[1,2]thiazolo[5,4-b]pyridine
- English name
- 3-Bromo-4-methyl-6-(trifluoromethyl)isothiazolo[5,4-b]pyridine
- Molecular formula
- C8H4BrF3N2S
- Molecular weight
- 297.1
Names & synonyms
296797-18-73-bromo-4-methyl-6-(trifluoromethyl)isothiazolo[5,4-b]pyridine3-bromo-4-methyl-6-(trifluoromethyl)[1,2]thiazolo[5,4-b]pyridine3-bromo-4-methyl-6-(trifluoromethyl)-[1,2]thiazolo[5,4-b]pyridineChemDiv3_006789DTXSID60357143HMS1492E13CCG-25480MFCD00473265SBB013584STK746883AKOS003677940
Show more names
Isothiazolo[5,4-b]pyridine, 3-bromo-4-methyl-6-(trifluoromethyl)-
IDI1_024699ST081747AM-807/25050020SR-01000087789SR-01000087789-1BRD-K31279076-001-01-5
Database identifiers
- CAS
296797-18-7- PubChem CID
- 845581
- DTXSID
DTXSID60357143
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 228.3 · 228.3±40.0 °C(Predicted)
- Density
- 1.795 · 1.795±0.06 g/cm3(Predicted)
- pka
- -1.1 · -1.10±0.50(Predicted)
- HS Code
- 2933399990 · 2933399990
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
- 2933399990
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…