5-bromo-1-(2-methoxyethyl)-3-(trifluoromethyl)pyridin-2-one

C9H9BrF3NO2 — CID 169095666

IUPAC5-bromo-1-(2-methoxyethyl)-3-(trifluoromethyl)pyridin-2-one
SMILESCOCCn1cc(Br)cc(C(F)(F)F)c1=O
InChIInChI=1S/C9H9BrF3NO2/c1-16-3-2-14-5-6(10)4-7(8(14)15)9(11,12)13/h4-5H,2-3H2,1H3
InChIKeyJZCCEVUQOKXSLG-UHFFFAOYSA-N
MW300.07 g/mol
LogP2.28
Rot. Bonds3

About 5-bromo-1-(2-methoxyethyl)-3-(trifluoromethyl)pyridin-2-one

5-bromo-1-(2-methoxyethyl)-3-(trifluoromethyl)pyridin-2-one (PubChem CID 169095666) has the molecular formula C9H9BrF3NO2 and a molecular weight of 300.07 g/mol. Its IUPAC name is 5-bromo-1-(2-methoxyethyl)-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(2-methoxyethyl)-3-(trifluoromethyl)pyridin-2-one
PubChem CID169095666
Molecular FormulaC9H9BrF3NO2
Molecular Weight300.07 g/mol
Exact Mass298.98
IUPAC Name5-bromo-1-(2-methoxyethyl)-3-(trifluoromethyl)pyridin-2-one
SMILESCOCCn1cc(Br)cc(C(F)(F)F)c1=O
InChIInChI=1S/C9H9BrF3NO2/c1-16-3-2-14-5-6(10)4-7(8(14)15)9(11,12)13/h4-5H,2-3H2,1H3
InChIKeyJZCCEVUQOKXSLG-UHFFFAOYSA-N
XLogP2.28
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.07
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-methoxyethyl)-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 5-bromo-1-(2-methoxyethyl)-3-(trifluoromethyl)pyridin-2-one (CID 169095666) is 5-bromo-1-(2-methoxyethyl)-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-(2-methoxyethyl)-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 5-bromo-1-(2-methoxyethyl)-3-(trifluoromethyl)pyridin-2-one is COCCn1cc(Br)cc(C(F)(F)F)c1=O.
What is the InChIKey of 5-bromo-1-(2-methoxyethyl)-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is JZCCEVUQOKXSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO2/c1-16-3-2-14-5-6(10)4-7(8(14)15)9(11,12)13/h4-5H,2-3H2,1H3.
What are the key properties of 5-bromo-1-(2-methoxyethyl)-3-(trifluoromethyl)pyridin-2-one?
5-bromo-1-(2-methoxyethyl)-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 300.07 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-methoxyethyl)-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 169095666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).