5-bromo-2-(2,2,2-trifluoroethoxy)pyridine

C7H5BrF3NO — CID 22391964

IUPAC5-bromo-2-(2,2,2-trifluoroethoxy)pyridine
SMILESFC(F)(F)COc1ccc(Br)cn1
InChIInChI=1S/C7H5BrF3NO/c8-5-1-2-6(12-3-5)13-4-7(9,10)11/h1-3H,4H2
InChIKeyJSYQQBQGDIUUFS-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.79
Rot. Bonds2

About 5-bromo-2-(2,2,2-trifluoroethoxy)pyridine

5-bromo-2-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 22391964) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is 5-bromo-2-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name5-bromo-2-(2,2,2-trifluoroethoxy)pyridine
PubChem CID22391964
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name5-bromo-2-(2,2,2-trifluoroethoxy)pyridine
SMILESFC(F)(F)COc1ccc(Br)cn1
InChIInChI=1S/C7H5BrF3NO/c8-5-1-2-6(12-3-5)13-4-7(9,10)11/h1-3H,4H2
InChIKeyJSYQQBQGDIUUFS-UHFFFAOYSA-N
XLogP2.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 5-bromo-2-(2,2,2-trifluoroethoxy)pyridine (CID 22391964) is 5-bromo-2-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 5-bromo-2-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 5-bromo-2-(2,2,2-trifluoroethoxy)pyridine is FC(F)(F)COc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is JSYQQBQGDIUUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c8-5-1-2-6(12-3-5)13-4-7(9,10)11/h1-3H,4H2.
What are the key properties of 5-bromo-2-(2,2,2-trifluoroethoxy)pyridine?
5-bromo-2-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 256.02 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 22391964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).