5-ethyl-4,6-difluoro-3-methyl-1H-pyridin-2-one

C8H9F2NO — CID 123578250

IUPAC5-ethyl-4,6-difluoro-3-methyl-1H-pyridin-2-one
SMILESCCc1c(F)[nH]c(=O)c(C)c1F
InChIInChI=1S/C8H9F2NO/c1-3-5-6(9)4(2)8(12)11-7(5)10/h3H2,1-2H3,(H,11,12)
InChIKeyJSOIQBKOGLEVIJ-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.52
Rot. Bonds1

About 5-ethyl-4,6-difluoro-3-methyl-1H-pyridin-2-one

5-ethyl-4,6-difluoro-3-methyl-1H-pyridin-2-one (PubChem CID 123578250) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 5-ethyl-4,6-difluoro-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-ethyl-4,6-difluoro-3-methyl-1H-pyridin-2-one
PubChem CID123578250
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name5-ethyl-4,6-difluoro-3-methyl-1H-pyridin-2-one
SMILESCCc1c(F)[nH]c(=O)c(C)c1F
InChIInChI=1S/C8H9F2NO/c1-3-5-6(9)4(2)8(12)11-7(5)10/h3H2,1-2H3,(H,11,12)
InChIKeyJSOIQBKOGLEVIJ-UHFFFAOYSA-N
XLogP1.52
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4,6-difluoro-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-ethyl-4,6-difluoro-3-methyl-1H-pyridin-2-one (CID 123578250) is 5-ethyl-4,6-difluoro-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-ethyl-4,6-difluoro-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-ethyl-4,6-difluoro-3-methyl-1H-pyridin-2-one is CCc1c(F)[nH]c(=O)c(C)c1F.
What is the InChIKey of 5-ethyl-4,6-difluoro-3-methyl-1H-pyridin-2-one?
The InChIKey is JSOIQBKOGLEVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-3-5-6(9)4(2)8(12)11-7(5)10/h3H2,1-2H3,(H,11,12).
What are the key properties of 5-ethyl-4,6-difluoro-3-methyl-1H-pyridin-2-one?
5-ethyl-4,6-difluoro-3-methyl-1H-pyridin-2-one has a molecular weight of 173.16 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,6-difluoro-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 123578250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).