5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine

C10H11BrF3NO — CID 134128575

IUPAC5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine
SMILESCC(C)COc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H11BrF3NO/c1-6(2)5-16-9-8(10(12,13)14)3-7(11)4-15-9/h3-4,6H,5H2,1-2H3
InChIKeyNLCRFENGLLLARZ-UHFFFAOYSA-N
MW298.10 g/mol
LogP3.90
Rot. Bonds3

About 5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine

5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine (PubChem CID 134128575) has the molecular formula C10H11BrF3NO and a molecular weight of 298.10 g/mol. Its IUPAC name is 5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine
PubChem CID134128575
Molecular FormulaC10H11BrF3NO
Molecular Weight298.10 g/mol
Exact Mass297.00
IUPAC Name5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine
SMILESCC(C)COc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H11BrF3NO/c1-6(2)5-16-9-8(10(12,13)14)3-7(11)4-15-9/h3-4,6H,5H2,1-2H3
InChIKeyNLCRFENGLLLARZ-UHFFFAOYSA-N
XLogP3.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 53.90
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-methylpropoxy)-3-(trifluoromethyl)pyridine?
The IUPAC name of 5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine (CID 134128575) is 5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine is CC(C)COc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine?
The InChIKey is NLCRFENGLLLARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO/c1-6(2)5-16-9-8(10(12,13)14)3-7(11)4-15-9/h3-4,6H,5H2,1-2H3.
What are the key properties of 5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine?
5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine has a molecular weight of 298.10 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methylpropoxy)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 134128575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).