5-amino-1-[2-(3,4-difluorophenyl)sulfanylethyl]pyridin-2-one

C13H12F2N2OS — CID 43260392

IUPAC5-amino-1-[2-(3,4-difluorophenyl)sulfanylethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCSc2ccc(F)c(F)c2)c1
InChIInChI=1S/C13H12F2N2OS/c14-11-3-2-10(7-12(11)15)19-6-5-17-8-9(16)1-4-13(17)18/h1-4,7-8H,5-6,16H2
InChIKeyNGOLIGREZHMDRV-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.50
Rot. Bonds4

About 5-amino-1-[2-(3,4-difluorophenyl)sulfanylethyl]pyridin-2-one

5-amino-1-[2-(3,4-difluorophenyl)sulfanylethyl]pyridin-2-one (PubChem CID 43260392) has the molecular formula C13H12F2N2OS and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-amino-1-[2-(3,4-difluorophenyl)sulfanylethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(3,4-difluorophenyl)sulfanylethyl]pyridin-2-one
PubChem CID43260392
Molecular FormulaC13H12F2N2OS
Molecular Weight282.32 g/mol
Exact Mass282.06
IUPAC Name5-amino-1-[2-(3,4-difluorophenyl)sulfanylethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCSc2ccc(F)c(F)c2)c1
InChIInChI=1S/C13H12F2N2OS/c14-11-3-2-10(7-12(11)15)19-6-5-17-8-9(16)1-4-13(17)18/h1-4,7-8H,5-6,16H2
InChIKeyNGOLIGREZHMDRV-UHFFFAOYSA-N
XLogP2.50
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(3,4-difluorophenyl)sulfanylethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(3,4-difluorophenyl)sulfanylethyl]pyridin-2-one (CID 43260392) is 5-amino-1-[2-(3,4-difluorophenyl)sulfanylethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(3,4-difluorophenyl)sulfanylethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(3,4-difluorophenyl)sulfanylethyl]pyridin-2-one is Nc1ccc(=O)n(CCSc2ccc(F)c(F)c2)c1.
What is the InChIKey of 5-amino-1-[2-(3,4-difluorophenyl)sulfanylethyl]pyridin-2-one?
The InChIKey is NGOLIGREZHMDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2OS/c14-11-3-2-10(7-12(11)15)19-6-5-17-8-9(16)1-4-13(17)18/h1-4,7-8H,5-6,16H2.
What are the key properties of 5-amino-1-[2-(3,4-difluorophenyl)sulfanylethyl]pyridin-2-one?
5-amino-1-[2-(3,4-difluorophenyl)sulfanylethyl]pyridin-2-one has a molecular weight of 282.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(3,4-difluorophenyl)sulfanylethyl]pyridin-2-one is sourced from PubChem (CID 43260392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).