3-bromo-2-(2,2,2-trifluoroethoxy)-5-[2-(trifluoromethyl)imidazol-1-yl]pyridine

C11H6BrF6N3O — CID 22000220

IUPAC3-bromo-2-(2,2,2-trifluoroethoxy)-5-[2-(trifluoromethyl)imidazol-1-yl]pyridine
SMILESFC(F)(F)COc1ncc(-n2ccnc2C(F)(F)F)cc1Br
InChIInChI=1S/C11H6BrF6N3O/c12-7-3-6(4-20-8(7)22-5-10(13,14)15)21-2-1-19-9(21)11(16,17)18/h1-4H,5H2
InChIKeyMUBQXYYSLYZVTQ-UHFFFAOYSA-N
MW390.08 g/mol
LogP3.99
Rot. Bonds3

About 3-bromo-2-(2,2,2-trifluoroethoxy)-5-[2-(trifluoromethyl)imidazol-1-yl]pyridine

3-bromo-2-(2,2,2-trifluoroethoxy)-5-[2-(trifluoromethyl)imidazol-1-yl]pyridine (PubChem CID 22000220) has the molecular formula C11H6BrF6N3O and a molecular weight of 390.08 g/mol. Its IUPAC name is 3-bromo-2-(2,2,2-trifluoroethoxy)-5-[2-(trifluoromethyl)imidazol-1-yl]pyridine.

Molecular Properties

Compound Name3-bromo-2-(2,2,2-trifluoroethoxy)-5-[2-(trifluoromethyl)imidazol-1-yl]pyridine
PubChem CID22000220
Molecular FormulaC11H6BrF6N3O
Molecular Weight390.08 g/mol
Exact Mass388.96
IUPAC Name3-bromo-2-(2,2,2-trifluoroethoxy)-5-[2-(trifluoromethyl)imidazol-1-yl]pyridine
SMILESFC(F)(F)COc1ncc(-n2ccnc2C(F)(F)F)cc1Br
InChIInChI=1S/C11H6BrF6N3O/c12-7-3-6(4-20-8(7)22-5-10(13,14)15)21-2-1-19-9(21)11(16,17)18/h1-4H,5H2
InChIKeyMUBQXYYSLYZVTQ-UHFFFAOYSA-N
XLogP3.99
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.08
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2,2,2-trifluoroethoxy)-5-[2-(trifluoromethyl)imidazol-1-yl]pyridine?
The IUPAC name of 3-bromo-2-(2,2,2-trifluoroethoxy)-5-[2-(trifluoromethyl)imidazol-1-yl]pyridine (CID 22000220) is 3-bromo-2-(2,2,2-trifluoroethoxy)-5-[2-(trifluoromethyl)imidazol-1-yl]pyridine.
What is the SMILES notation for 3-bromo-2-(2,2,2-trifluoroethoxy)-5-[2-(trifluoromethyl)imidazol-1-yl]pyridine?
The canonical SMILES for 3-bromo-2-(2,2,2-trifluoroethoxy)-5-[2-(trifluoromethyl)imidazol-1-yl]pyridine is FC(F)(F)COc1ncc(-n2ccnc2C(F)(F)F)cc1Br.
What is the InChIKey of 3-bromo-2-(2,2,2-trifluoroethoxy)-5-[2-(trifluoromethyl)imidazol-1-yl]pyridine?
The InChIKey is MUBQXYYSLYZVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF6N3O/c12-7-3-6(4-20-8(7)22-5-10(13,14)15)21-2-1-19-9(21)11(16,17)18/h1-4H,5H2.
What are the key properties of 3-bromo-2-(2,2,2-trifluoroethoxy)-5-[2-(trifluoromethyl)imidazol-1-yl]pyridine?
3-bromo-2-(2,2,2-trifluoroethoxy)-5-[2-(trifluoromethyl)imidazol-1-yl]pyridine has a molecular weight of 390.08 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2,2,2-trifluoroethoxy)-5-[2-(trifluoromethyl)imidazol-1-yl]pyridine is sourced from PubChem (CID 22000220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).