CAS 1051372-09-8 3-Bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine (HCID 53407765)

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Basic information

CAS: 1051372-09-8
Standard SMILES: O=[N+]([O-])c1cnc(OCC(F)(F)F)c(Br)c1
InChIKey: RKXYCFFXBJGPMH-UHFFFAOYSA-N
Molecular formula: C7H4BrF3N2O3
Average molar mass: 301.02 g/mol
Monoisotopic mass: 299.93574

Names & identifiers

Preferred name: 3-Bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine
IUPAC: 3-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine
English name: 3-Bromo-5-nitro-2-(2,2,2-trifluoro-ethoxy)-pyridine
Molecular formula: C7H4BrF3N2O3
Molecular weight: 301.02

Names & synonyms

1051372-09-83-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine3-BROMO-5-NITRO-2-(2,2,2-TRIFLUORO-ETHOXY)-PYRIDINEMFCD118585103-Bromo-5-nitro-2-(2,2,2-trifluoroethoxy)-pyridineSCHEMBL2114422SCHEMBL17715740DTXSID00696028SB30396DB-262186CS-0341563A1-03156

Show more names

Pyridine, 3-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)-

3-bromo-5-nitro-2-(2, 2, 2-trifluoro-ethoxy)-pyridine

Database identifiers

CAS: 1051372-09-8
PubChem CID: 53407765
DTXSID: DTXSID00696028

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 67.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 258

Chemistry & industry

Applications

Uses3-Bromo-5-nitro-2-(2,2,2-trifluoro-ethoxy)-pyridine is used as a reactant in the preparation of N-arylamide oxadiazoles as selective oral CB2 agonists.