5-fluoro-3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one

C14H20FNO2 — CID 157257792

IUPAC5-fluoro-3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one
SMILESCC(C)Cc1cc(F)cn(C2CCCOC2)c1=O
InChIInChI=1S/C14H20FNO2/c1-10(2)6-11-7-12(15)8-16(14(11)17)13-4-3-5-18-9-13/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyJEMSHARHFOYABH-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.54
Rot. Bonds3

About 5-fluoro-3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one

5-fluoro-3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one (PubChem CID 157257792) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 5-fluoro-3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one
PubChem CID157257792
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name5-fluoro-3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one
SMILESCC(C)Cc1cc(F)cn(C2CCCOC2)c1=O
InChIInChI=1S/C14H20FNO2/c1-10(2)6-11-7-12(15)8-16(14(11)17)13-4-3-5-18-9-13/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyJEMSHARHFOYABH-UHFFFAOYSA-N
XLogP2.54
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one?
The IUPAC name of 5-fluoro-3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one (CID 157257792) is 5-fluoro-3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one.
What is the SMILES notation for 5-fluoro-3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one?
The canonical SMILES for 5-fluoro-3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one is CC(C)Cc1cc(F)cn(C2CCCOC2)c1=O.
What is the InChIKey of 5-fluoro-3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one?
The InChIKey is JEMSHARHFOYABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10(2)6-11-7-12(15)8-16(14(11)17)13-4-3-5-18-9-13/h7-8,10,13H,3-6,9H2,1-2H3.
What are the key properties of 5-fluoro-3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one?
5-fluoro-3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one has a molecular weight of 253.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(2-methylpropyl)-1-(oxan-3-yl)pyridin-2-one is sourced from PubChem (CID 157257792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).