5-bromo-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one

C8H7BrF3NO2 — CID 66309335

IUPAC5-bromo-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1CCOC(F)(F)F
InChIInChI=1S/C8H7BrF3NO2/c9-6-1-2-7(14)13(5-6)3-4-15-8(10,11)12/h1-2,5H,3-4H2
InChIKeyPVUAKVJFKHKKQW-UHFFFAOYSA-N
MW286.05 g/mol
LogP2.15
Rot. Bonds3

About 5-bromo-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one

5-bromo-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one (PubChem CID 66309335) has the molecular formula C8H7BrF3NO2 and a molecular weight of 286.05 g/mol. Its IUPAC name is 5-bromo-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one
PubChem CID66309335
Molecular FormulaC8H7BrF3NO2
Molecular Weight286.05 g/mol
Exact Mass284.96
IUPAC Name5-bromo-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1CCOC(F)(F)F
InChIInChI=1S/C8H7BrF3NO2/c9-6-1-2-7(14)13(5-6)3-4-15-8(10,11)12/h1-2,5H,3-4H2
InChIKeyPVUAKVJFKHKKQW-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 5-bromo-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one (CID 66309335) is 5-bromo-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one is O=c1ccc(Br)cn1CCOC(F)(F)F.
What is the InChIKey of 5-bromo-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one?
The InChIKey is PVUAKVJFKHKKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO2/c9-6-1-2-7(14)13(5-6)3-4-15-8(10,11)12/h1-2,5H,3-4H2.
What are the key properties of 5-bromo-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one?
5-bromo-1-[2-(trifluoromethoxy)ethyl]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 5-bromo-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 66309335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).