4-bromo-2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine

C11H13BrF3NO — CID 90150838

IUPAC4-bromo-2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine
SMILESCC(C)(C)c1cc(Br)cc(OCC(F)(F)F)n1
InChIInChI=1S/C11H13BrF3NO/c1-10(2,3)8-4-7(12)5-9(16-8)17-6-11(13,14)15/h4-5H,6H2,1-3H3
InChIKeyHRFOZPNAKFMAQE-UHFFFAOYSA-N
MW312.13 g/mol
LogP4.08
Rot. Bonds2

About 4-bromo-2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine

4-bromo-2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 90150838) has the molecular formula C11H13BrF3NO and a molecular weight of 312.13 g/mol. Its IUPAC name is 4-bromo-2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name4-bromo-2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine
PubChem CID90150838
Molecular FormulaC11H13BrF3NO
Molecular Weight312.13 g/mol
Exact Mass311.01
IUPAC Name4-bromo-2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine
SMILESCC(C)(C)c1cc(Br)cc(OCC(F)(F)F)n1
InChIInChI=1S/C11H13BrF3NO/c1-10(2,3)8-4-7(12)5-9(16-8)17-6-11(13,14)15/h4-5H,6H2,1-3H3
InChIKeyHRFOZPNAKFMAQE-UHFFFAOYSA-N
XLogP4.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 4-bromo-2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine (CID 90150838) is 4-bromo-2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 4-bromo-2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 4-bromo-2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine is CC(C)(C)c1cc(Br)cc(OCC(F)(F)F)n1.
What is the InChIKey of 4-bromo-2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is HRFOZPNAKFMAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NO/c1-10(2,3)8-4-7(12)5-9(16-8)17-6-11(13,14)15/h4-5H,6H2,1-3H3.
What are the key properties of 4-bromo-2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine?
4-bromo-2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 312.13 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-tert-butyl-6-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 90150838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).