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

C13H12F2N2OS — CID 43260404

IUPAC5-amino-1-[2-(2,4-difluorophenyl)sulfanylethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCSc2ccc(F)cc2F)c1
InChIInChI=1S/C13H12F2N2OS/c14-9-1-3-12(11(15)7-9)19-6-5-17-8-10(16)2-4-13(17)18/h1-4,7-8H,5-6,16H2
InChIKeyCTUZGPGLHRVMDE-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.50
Rot. Bonds4

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

5-amino-1-[2-(2,4-difluorophenyl)sulfanylethyl]pyridin-2-one (PubChem CID 43260404) has the molecular formula C13H12F2N2OS and a molecular weight of 282.31 g/mol. Its IUPAC name is 5-amino-1-[2-(2,4-difluorophenyl)sulfanylethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(2,4-difluorophenyl)sulfanylethyl]pyridin-2-one
PubChem CID43260404
Molecular FormulaC13H12F2N2OS
Molecular Weight282.31 g/mol
Exact Mass282.06
IUPAC Name5-amino-1-[2-(2,4-difluorophenyl)sulfanylethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCSc2ccc(F)cc2F)c1
InChIInChI=1S/C13H12F2N2OS/c14-9-1-3-12(11(15)7-9)19-6-5-17-8-10(16)2-4-13(17)18/h1-4,7-8H,5-6,16H2
InChIKeyCTUZGPGLHRVMDE-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 ≤ 500282.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-allyl-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 4437853
2-oxo-N-(2-phenylsulfanylethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 17520654
2-(4-fluorophenyl)sulfonyl-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 75461904
4-[(4-fluorophenyl)sulfanylmethyl]-1H-pyridin-2-one
CID 68970078
3-phenylsulfanyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 69128025
(Z)-3-amino-4-(4-fluorophenyl)sulfanylbut-2-enamide
CID 70303183
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylsulfanylethyl)acetamide
CID 7644816
2-(2,5-difluorophenyl)sulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 8244107
3-(3,4-difluorophenyl)sulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 8244260
N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide
CID 9077874
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-2-(2-oxo-1-pyridinyl)acetohydrazide
CID 9078331
2-(3,4-difluorophenyl)sulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 17471854

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(2,4-difluorophenyl)sulfanylethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(2,4-difluorophenyl)sulfanylethyl]pyridin-2-one (CID 43260404) is 5-amino-1-[2-(2,4-difluorophenyl)sulfanylethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(2,4-difluorophenyl)sulfanylethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(2,4-difluorophenyl)sulfanylethyl]pyridin-2-one is Nc1ccc(=O)n(CCSc2ccc(F)cc2F)c1.
What is the InChIKey of 5-amino-1-[2-(2,4-difluorophenyl)sulfanylethyl]pyridin-2-one?
The InChIKey is CTUZGPGLHRVMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2OS/c14-9-1-3-12(11(15)7-9)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)sulfanylethyl]pyridin-2-one?
5-amino-1-[2-(2,4-difluorophenyl)sulfanylethyl]pyridin-2-one has a molecular weight of 282.31 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-(2,4-difluorophenyl)sulfanylethyl]pyridin-2-one is sourced from PubChem (CID 43260404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).