6-methyl-4-pyridin-2-ylsulfanylpyran-2-one

C11H9NO2S — CID 164740655

IUPAC6-methyl-4-pyridin-2-ylsulfanylpyran-2-one
SMILESCc1cc(Sc2ccccn2)cc(=O)o1
InChIInChI=1S/C11H9NO2S/c1-8-6-9(7-11(13)14-8)15-10-4-2-3-5-12-10/h2-7H,1H3
InChIKeyQOAKTKOMRAUBFT-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.49
Rot. Bonds2

About 6-methyl-4-pyridin-2-ylsulfanylpyran-2-one

6-methyl-4-pyridin-2-ylsulfanylpyran-2-one (PubChem CID 164740655) has the molecular formula C11H9NO2S and a molecular weight of 219.26 g/mol. Its IUPAC name is 6-methyl-4-pyridin-2-ylsulfanylpyran-2-one.

Molecular Properties

Compound Name6-methyl-4-pyridin-2-ylsulfanylpyran-2-one
PubChem CID164740655
Molecular FormulaC11H9NO2S
Molecular Weight219.26 g/mol
Exact Mass219.04
IUPAC Name6-methyl-4-pyridin-2-ylsulfanylpyran-2-one
SMILESCc1cc(Sc2ccccn2)cc(=O)o1
InChIInChI=1S/C11H9NO2S/c1-8-6-9(7-11(13)14-8)15-10-4-2-3-5-12-10/h2-7H,1H3
InChIKeyQOAKTKOMRAUBFT-UHFFFAOYSA-N
XLogP2.49
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethyl-3-methylphenyl)sulfanylpyridine
CID 71179430
4-methyl-2-pyridin-2-ylsulfanylpyridine
CID 91863117
3,5-difluoro-4-pyridin-2-ylsulfanylbenzaldehyde
CID 63803191
2-(pyridin-2-yldisulfanyl)pyridine;tin(4+);tetrachloride
CID 21452483
3,4-bis(pyridin-2-ylsulfanyl)pyrrole-2,5-dione
CID 66927458
4-chloro-2-methyl-6-pyridin-2-ylsulfanylpyrimidine
CID 62482152
2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylpyridine
CID 58174524
ethene;2-(pyridin-2-yldisulfanyl)pyridine
CID 130237828
4-chloro-2-pyridin-2-ylsulfanylbenzaldehyde
CID 114863609
2-(1-ethylimidazol-2-yl)sulfanylpyridine
CID 130455766
5-pyridin-2-ylsulfanylpyridine-2-carbonitrile
CID 115489929
5-pyridin-2-ylsulfanylfuran-2-carbaldehyde
CID 2794784

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-pyridin-2-ylsulfanylpyran-2-one?
The IUPAC name of 6-methyl-4-pyridin-2-ylsulfanylpyran-2-one (CID 164740655) is 6-methyl-4-pyridin-2-ylsulfanylpyran-2-one.
What is the SMILES notation for 6-methyl-4-pyridin-2-ylsulfanylpyran-2-one?
The canonical SMILES for 6-methyl-4-pyridin-2-ylsulfanylpyran-2-one is Cc1cc(Sc2ccccn2)cc(=O)o1.
What is the InChIKey of 6-methyl-4-pyridin-2-ylsulfanylpyran-2-one?
The InChIKey is QOAKTKOMRAUBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-8-6-9(7-11(13)14-8)15-10-4-2-3-5-12-10/h2-7H,1H3.
What are the key properties of 6-methyl-4-pyridin-2-ylsulfanylpyran-2-one?
6-methyl-4-pyridin-2-ylsulfanylpyran-2-one has a molecular weight of 219.26 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-pyridin-2-ylsulfanylpyran-2-one is sourced from PubChem (CID 164740655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).