1-ethyl-5-fluoro-3-(2-methylpentan-2-yl)pyridin-2-one

C13H20FNO — CID 154966362

IUPAC1-ethyl-5-fluoro-3-(2-methylpentan-2-yl)pyridin-2-one
SMILESCCCC(C)(C)c1cc(F)cn(CC)c1=O
InChIInChI=1S/C13H20FNO/c1-5-7-13(3,4)11-8-10(14)9-15(6-2)12(11)16/h8-9H,5-7H2,1-4H3
InChIKeyJDSATMODRZFRNT-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.09
Rot. Bonds4

About 1-ethyl-5-fluoro-3-(2-methylpentan-2-yl)pyridin-2-one

1-ethyl-5-fluoro-3-(2-methylpentan-2-yl)pyridin-2-one (PubChem CID 154966362) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-3-(2-methylpentan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-fluoro-3-(2-methylpentan-2-yl)pyridin-2-one
PubChem CID154966362
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-ethyl-5-fluoro-3-(2-methylpentan-2-yl)pyridin-2-one
SMILESCCCC(C)(C)c1cc(F)cn(CC)c1=O
InChIInChI=1S/C13H20FNO/c1-5-7-13(3,4)11-8-10(14)9-15(6-2)12(11)16/h8-9H,5-7H2,1-4H3
InChIKeyJDSATMODRZFRNT-UHFFFAOYSA-N
XLogP3.09
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-3-(2-methylpentan-2-yl)pyridin-2-one?
The IUPAC name of 1-ethyl-5-fluoro-3-(2-methylpentan-2-yl)pyridin-2-one (CID 154966362) is 1-ethyl-5-fluoro-3-(2-methylpentan-2-yl)pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-fluoro-3-(2-methylpentan-2-yl)pyridin-2-one?
The canonical SMILES for 1-ethyl-5-fluoro-3-(2-methylpentan-2-yl)pyridin-2-one is CCCC(C)(C)c1cc(F)cn(CC)c1=O.
What is the InChIKey of 1-ethyl-5-fluoro-3-(2-methylpentan-2-yl)pyridin-2-one?
The InChIKey is JDSATMODRZFRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-5-7-13(3,4)11-8-10(14)9-15(6-2)12(11)16/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-ethyl-5-fluoro-3-(2-methylpentan-2-yl)pyridin-2-one?
1-ethyl-5-fluoro-3-(2-methylpentan-2-yl)pyridin-2-one has a molecular weight of 225.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-3-(2-methylpentan-2-yl)pyridin-2-one is sourced from PubChem (CID 154966362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).