4-bromo-1-(2,2-difluoroethyl)pyridin-2-one

C7H6BrF2NO — CID 23115986

IUPAC4-bromo-1-(2,2-difluoroethyl)pyridin-2-one
SMILESO=c1cc(Br)ccn1CC(F)F
InChIInChI=1S/C7H6BrF2NO/c8-5-1-2-11(4-6(9)10)7(12)3-5/h1-3,6H,4H2
InChIKeyIJGQJFCRAHJEBI-UHFFFAOYSA-N
MW238.03 g/mol
LogP1.88
Rot. Bonds2

About 4-bromo-1-(2,2-difluoroethyl)pyridin-2-one

4-bromo-1-(2,2-difluoroethyl)pyridin-2-one (PubChem CID 23115986) has the molecular formula C7H6BrF2NO and a molecular weight of 238.03 g/mol. Its IUPAC name is 4-bromo-1-(2,2-difluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name4-bromo-1-(2,2-difluoroethyl)pyridin-2-one
PubChem CID23115986
Molecular FormulaC7H6BrF2NO
Molecular Weight238.03 g/mol
Exact Mass236.96
IUPAC Name4-bromo-1-(2,2-difluoroethyl)pyridin-2-one
SMILESO=c1cc(Br)ccn1CC(F)F
InChIInChI=1S/C7H6BrF2NO/c8-5-1-2-11(4-6(9)10)7(12)3-5/h1-3,6H,4H2
InChIKeyIJGQJFCRAHJEBI-UHFFFAOYSA-N
XLogP1.88
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.03
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2,2-difluoroethyl)pyridin-2-one?
The IUPAC name of 4-bromo-1-(2,2-difluoroethyl)pyridin-2-one (CID 23115986) is 4-bromo-1-(2,2-difluoroethyl)pyridin-2-one.
What is the SMILES notation for 4-bromo-1-(2,2-difluoroethyl)pyridin-2-one?
The canonical SMILES for 4-bromo-1-(2,2-difluoroethyl)pyridin-2-one is O=c1cc(Br)ccn1CC(F)F.
What is the InChIKey of 4-bromo-1-(2,2-difluoroethyl)pyridin-2-one?
The InChIKey is IJGQJFCRAHJEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO/c8-5-1-2-11(4-6(9)10)7(12)3-5/h1-3,6H,4H2.
What are the key properties of 4-bromo-1-(2,2-difluoroethyl)pyridin-2-one?
4-bromo-1-(2,2-difluoroethyl)pyridin-2-one has a molecular weight of 238.03 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2,2-difluoroethyl)pyridin-2-one is sourced from PubChem (CID 23115986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).