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

C13H12F2N2O2S — CID 61287000

IUPAC5-amino-1-[2-(2,4-difluorophenyl)sulfinylethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCS(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C13H12F2N2O2S/c14-9-1-3-12(11(15)7-9)20(19)6-5-17-8-10(16)2-4-13(17)18/h1-4,7-8H,5-6,16H2
InChIKeyGOUZOLVWYRYINF-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.52
Rot. Bonds4

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

5-amino-1-[2-(2,4-difluorophenyl)sulfinylethyl]pyridin-2-one (PubChem CID 61287000) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 5-amino-1-[2-(2,4-difluorophenyl)sulfinylethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(2,4-difluorophenyl)sulfinylethyl]pyridin-2-one
PubChem CID61287000
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name5-amino-1-[2-(2,4-difluorophenyl)sulfinylethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCS(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C13H12F2N2O2S/c14-9-1-3-12(11(15)7-9)20(19)6-5-17-8-10(16)2-4-13(17)18/h1-4,7-8H,5-6,16H2
InChIKeyGOUZOLVWYRYINF-UHFFFAOYSA-N
XLogP1.52
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.52
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-(2,4-difluorophenyl)sulfinylethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(2,4-difluorophenyl)sulfinylethyl]pyridin-2-one (CID 61287000) is 5-amino-1-[2-(2,4-difluorophenyl)sulfinylethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(2,4-difluorophenyl)sulfinylethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(2,4-difluorophenyl)sulfinylethyl]pyridin-2-one is Nc1ccc(=O)n(CCS(=O)c2ccc(F)cc2F)c1.
What is the InChIKey of 5-amino-1-[2-(2,4-difluorophenyl)sulfinylethyl]pyridin-2-one?
The InChIKey is GOUZOLVWYRYINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c14-9-1-3-12(11(15)7-9)20(19)6-5-17-8-10(16)2-4-13(17)18/h1-4,7-8H,5-6,16H2.
What are the key properties of 5-amino-1-[2-(2,4-difluorophenyl)sulfinylethyl]pyridin-2-one?
5-amino-1-[2-(2,4-difluorophenyl)sulfinylethyl]pyridin-2-one has a molecular weight of 298.31 g/mol, XLogP of 1.52, 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-(2,4-difluorophenyl)sulfinylethyl]pyridin-2-one is sourced from PubChem (CID 61287000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).