5-ethyl-6-fluoro-3-methyl-1H-pyridin-2-one

C8H10FNO — CID 123507957

IUPAC5-ethyl-6-fluoro-3-methyl-1H-pyridin-2-one
SMILESCCc1cc(C)c(=O)[nH]c1F
InChIInChI=1S/C8H10FNO/c1-3-6-4-5(2)8(11)10-7(6)9/h4H,3H2,1-2H3,(H,10,11)
InChIKeyQIOJFMNJSRABQR-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.38
Rot. Bonds1

About 5-ethyl-6-fluoro-3-methyl-1H-pyridin-2-one

5-ethyl-6-fluoro-3-methyl-1H-pyridin-2-one (PubChem CID 123507957) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 5-ethyl-6-fluoro-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-ethyl-6-fluoro-3-methyl-1H-pyridin-2-one
PubChem CID123507957
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name5-ethyl-6-fluoro-3-methyl-1H-pyridin-2-one
SMILESCCc1cc(C)c(=O)[nH]c1F
InChIInChI=1S/C8H10FNO/c1-3-6-4-5(2)8(11)10-7(6)9/h4H,3H2,1-2H3,(H,10,11)
InChIKeyQIOJFMNJSRABQR-UHFFFAOYSA-N
XLogP1.38
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-ethyl-6-fluoro-3-methyl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-fluoro-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-ethyl-6-fluoro-3-methyl-1H-pyridin-2-one (CID 123507957) is 5-ethyl-6-fluoro-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-ethyl-6-fluoro-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-ethyl-6-fluoro-3-methyl-1H-pyridin-2-one is CCc1cc(C)c(=O)[nH]c1F.
What is the InChIKey of 5-ethyl-6-fluoro-3-methyl-1H-pyridin-2-one?
The InChIKey is QIOJFMNJSRABQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-3-6-4-5(2)8(11)10-7(6)9/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of 5-ethyl-6-fluoro-3-methyl-1H-pyridin-2-one?
5-ethyl-6-fluoro-3-methyl-1H-pyridin-2-one has a molecular weight of 155.17 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-fluoro-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 123507957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).