4-methylsulfanyl-6-pyridin-3-yl-1H-pyridin-2-one

C11H10N2OS — CID 123419683

IUPAC4-methylsulfanyl-6-pyridin-3-yl-1H-pyridin-2-one
SMILESCSc1cc(-c2cccnc2)[nH]c(=O)c1
InChIInChI=1S/C11H10N2OS/c1-15-9-5-10(13-11(14)6-9)8-3-2-4-12-7-8/h2-7H,1H3,(H,13,14)
InChIKeyBTTREOQLMDAXMT-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.16
Rot. Bonds2

About 4-methylsulfanyl-6-pyridin-3-yl-1H-pyridin-2-one

4-methylsulfanyl-6-pyridin-3-yl-1H-pyridin-2-one (PubChem CID 123419683) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 4-methylsulfanyl-6-pyridin-3-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methylsulfanyl-6-pyridin-3-yl-1H-pyridin-2-one
PubChem CID123419683
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name4-methylsulfanyl-6-pyridin-3-yl-1H-pyridin-2-one
SMILESCSc1cc(-c2cccnc2)[nH]c(=O)c1
InChIInChI=1S/C11H10N2OS/c1-15-9-5-10(13-11(14)6-9)8-3-2-4-12-7-8/h2-7H,1H3,(H,13,14)
InChIKeyBTTREOQLMDAXMT-UHFFFAOYSA-N
XLogP2.16
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfanyl-2-oxo-6-pyridin-3-yl-1H-pyridine-3-carboxylic acid
CID 102087393
5-methylsulfanyl-2-pyridin-3-ylpyridine
CID 123833114
2-ethyl-6-pyridin-3-yl-1H-pyrimidine-4-thione
CID 94077043
2-pyridin-3-yl-1H-indole
CID 606677
6-(3-methylsulfanylphenyl)-1H-pyridin-2-one
CID 53217784
4-methyl-2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridine
CID 144764987
2-pyridin-3-yl-1H-indole;hydrochloride
CID 159150480
2-(3-fluorophenyl)-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136668740
2-ethyl-5-pyridin-3-yl-1H-pyrazol-3-one
CID 58200639
6-methoxy-5-methyl-2-pyridin-3-yl-1H-indole
CID 69096952
2-(4-methylsulfanylphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 25055628
5-pyridin-3-yl-1,2-oxazol-3-one
CID 10702133

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-pyridin-3-yl-1H-pyridin-2-one?
The IUPAC name of 4-methylsulfanyl-6-pyridin-3-yl-1H-pyridin-2-one (CID 123419683) is 4-methylsulfanyl-6-pyridin-3-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-methylsulfanyl-6-pyridin-3-yl-1H-pyridin-2-one?
The canonical SMILES for 4-methylsulfanyl-6-pyridin-3-yl-1H-pyridin-2-one is CSc1cc(-c2cccnc2)[nH]c(=O)c1.
What is the InChIKey of 4-methylsulfanyl-6-pyridin-3-yl-1H-pyridin-2-one?
The InChIKey is BTTREOQLMDAXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-15-9-5-10(13-11(14)6-9)8-3-2-4-12-7-8/h2-7H,1H3,(H,13,14).
What are the key properties of 4-methylsulfanyl-6-pyridin-3-yl-1H-pyridin-2-one?
4-methylsulfanyl-6-pyridin-3-yl-1H-pyridin-2-one has a molecular weight of 218.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-pyridin-3-yl-1H-pyridin-2-one is sourced from PubChem (CID 123419683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).