5-bromo-1-(fluoromethyl)pyridin-2-one

C6H5BrFNO — CID 23115962

IUPAC5-bromo-1-(fluoromethyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1CF
InChIInChI=1S/C6H5BrFNO/c7-5-1-2-6(10)9(3-5)4-8/h1-3H,4H2
InChIKeyVZUAVRLKWSSDEW-UHFFFAOYSA-N
MW206.01 g/mol
LogP1.54
Rot. Bonds1

About 5-bromo-1-(fluoromethyl)pyridin-2-one

5-bromo-1-(fluoromethyl)pyridin-2-one (PubChem CID 23115962) has the molecular formula C6H5BrFNO and a molecular weight of 206.01 g/mol. Its IUPAC name is 5-bromo-1-(fluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(fluoromethyl)pyridin-2-one
PubChem CID23115962
Molecular FormulaC6H5BrFNO
Molecular Weight206.01 g/mol
Exact Mass204.95
IUPAC Name5-bromo-1-(fluoromethyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1CF
InChIInChI=1S/C6H5BrFNO/c7-5-1-2-6(10)9(3-5)4-8/h1-3H,4H2
InChIKeyVZUAVRLKWSSDEW-UHFFFAOYSA-N
XLogP1.54
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.01
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(fluoromethyl)pyridin-2-one?
The IUPAC name of 5-bromo-1-(fluoromethyl)pyridin-2-one (CID 23115962) is 5-bromo-1-(fluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-(fluoromethyl)pyridin-2-one?
The canonical SMILES for 5-bromo-1-(fluoromethyl)pyridin-2-one is O=c1ccc(Br)cn1CF.
What is the InChIKey of 5-bromo-1-(fluoromethyl)pyridin-2-one?
The InChIKey is VZUAVRLKWSSDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFNO/c7-5-1-2-6(10)9(3-5)4-8/h1-3H,4H2.
What are the key properties of 5-bromo-1-(fluoromethyl)pyridin-2-one?
5-bromo-1-(fluoromethyl)pyridin-2-one has a molecular weight of 206.01 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(fluoromethyl)pyridin-2-one is sourced from PubChem (CID 23115962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).