4-bromo-1-(2-fluoroethyl)pyridin-2-one

C7H7BrFNO — CID 23115984

IUPAC4-bromo-1-(2-fluoroethyl)pyridin-2-one
SMILESO=c1cc(Br)ccn1CCF
InChIInChI=1S/C7H7BrFNO/c8-6-1-3-10(4-2-9)7(11)5-6/h1,3,5H,2,4H2
InChIKeyHQCMNURAOQPSFD-UHFFFAOYSA-N
MW220.04 g/mol
LogP1.58
Rot. Bonds2

About 4-bromo-1-(2-fluoroethyl)pyridin-2-one

4-bromo-1-(2-fluoroethyl)pyridin-2-one (PubChem CID 23115984) has the molecular formula C7H7BrFNO and a molecular weight of 220.04 g/mol. Its IUPAC name is 4-bromo-1-(2-fluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name4-bromo-1-(2-fluoroethyl)pyridin-2-one
PubChem CID23115984
Molecular FormulaC7H7BrFNO
Molecular Weight220.04 g/mol
Exact Mass218.97
IUPAC Name4-bromo-1-(2-fluoroethyl)pyridin-2-one
SMILESO=c1cc(Br)ccn1CCF
InChIInChI=1S/C7H7BrFNO/c8-6-1-3-10(4-2-9)7(11)5-6/h1,3,5H,2,4H2
InChIKeyHQCMNURAOQPSFD-UHFFFAOYSA-N
XLogP1.58
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.04
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-fluoroethyl)pyridin-2-one?
The IUPAC name of 4-bromo-1-(2-fluoroethyl)pyridin-2-one (CID 23115984) is 4-bromo-1-(2-fluoroethyl)pyridin-2-one.
What is the SMILES notation for 4-bromo-1-(2-fluoroethyl)pyridin-2-one?
The canonical SMILES for 4-bromo-1-(2-fluoroethyl)pyridin-2-one is O=c1cc(Br)ccn1CCF.
What is the InChIKey of 4-bromo-1-(2-fluoroethyl)pyridin-2-one?
The InChIKey is HQCMNURAOQPSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO/c8-6-1-3-10(4-2-9)7(11)5-6/h1,3,5H,2,4H2.
What are the key properties of 4-bromo-1-(2-fluoroethyl)pyridin-2-one?
4-bromo-1-(2-fluoroethyl)pyridin-2-one has a molecular weight of 220.04 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-fluoroethyl)pyridin-2-one is sourced from PubChem (CID 23115984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).