3-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one

C8H7BrF3NO2 — CID 106705717

IUPAC3-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one
SMILESO=c1c(Br)cccn1COCC(F)(F)F
InChIInChI=1S/C8H7BrF3NO2/c9-6-2-1-3-13(7(6)14)5-15-4-8(10,11)12/h1-3H,4-5H2
InChIKeyKQONVJJPUZKXOO-UHFFFAOYSA-N
MW286.05 g/mol
LogP2.15
Rot. Bonds3

About 3-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one

3-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one (PubChem CID 106705717) has the molecular formula C8H7BrF3NO2 and a molecular weight of 286.05 g/mol. Its IUPAC name is 3-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one
PubChem CID106705717
Molecular FormulaC8H7BrF3NO2
Molecular Weight286.05 g/mol
Exact Mass284.96
IUPAC Name3-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one
SMILESO=c1c(Br)cccn1COCC(F)(F)F
InChIInChI=1S/C8H7BrF3NO2/c9-6-2-1-3-13(7(6)14)5-15-4-8(10,11)12/h1-3H,4-5H2
InChIKeyKQONVJJPUZKXOO-UHFFFAOYSA-N
XLogP2.15
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.05
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one?
The IUPAC name of 3-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one (CID 106705717) is 3-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one?
The canonical SMILES for 3-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one is O=c1c(Br)cccn1COCC(F)(F)F.
What is the InChIKey of 3-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one?
The InChIKey is KQONVJJPUZKXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO2/c9-6-2-1-3-13(7(6)14)5-15-4-8(10,11)12/h1-3H,4-5H2.
What are the key properties of 3-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one?
3-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one has a molecular weight of 286.05 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one is sourced from PubChem (CID 106705717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).