3-bromo-1-[2-(difluoromethoxy)ethyl]pyridin-2-one

C8H8BrF2NO2 — CID 178099295

IUPAC3-bromo-1-[2-(difluoromethoxy)ethyl]pyridin-2-one
SMILESO=c1c(Br)cccn1CCOC(F)F
InChIInChI=1S/C8H8BrF2NO2/c9-6-2-1-3-12(7(6)13)4-5-14-8(10)11/h1-3,8H,4-5H2
InChIKeyOHAGZTKWRFHJBG-UHFFFAOYSA-N
MW268.06 g/mol
LogP1.85
Rot. Bonds4

About 3-bromo-1-[2-(difluoromethoxy)ethyl]pyridin-2-one

3-bromo-1-[2-(difluoromethoxy)ethyl]pyridin-2-one (PubChem CID 178099295) has the molecular formula C8H8BrF2NO2 and a molecular weight of 268.06 g/mol. Its IUPAC name is 3-bromo-1-[2-(difluoromethoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[2-(difluoromethoxy)ethyl]pyridin-2-one
PubChem CID178099295
Molecular FormulaC8H8BrF2NO2
Molecular Weight268.06 g/mol
Exact Mass266.97
IUPAC Name3-bromo-1-[2-(difluoromethoxy)ethyl]pyridin-2-one
SMILESO=c1c(Br)cccn1CCOC(F)F
InChIInChI=1S/C8H8BrF2NO2/c9-6-2-1-3-12(7(6)13)4-5-14-8(10)11/h1-3,8H,4-5H2
InChIKeyOHAGZTKWRFHJBG-UHFFFAOYSA-N
XLogP1.85
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.06
LogP ≤ 51.85
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-(difluoromethoxy)ethyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[2-(difluoromethoxy)ethyl]pyridin-2-one (CID 178099295) is 3-bromo-1-[2-(difluoromethoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[2-(difluoromethoxy)ethyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[2-(difluoromethoxy)ethyl]pyridin-2-one is O=c1c(Br)cccn1CCOC(F)F.
What is the InChIKey of 3-bromo-1-[2-(difluoromethoxy)ethyl]pyridin-2-one?
The InChIKey is OHAGZTKWRFHJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO2/c9-6-2-1-3-12(7(6)13)4-5-14-8(10)11/h1-3,8H,4-5H2.
What are the key properties of 3-bromo-1-[2-(difluoromethoxy)ethyl]pyridin-2-one?
3-bromo-1-[2-(difluoromethoxy)ethyl]pyridin-2-one has a molecular weight of 268.06 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[2-(difluoromethoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 178099295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).