5-chloro-3-ethylsulfanyl-1H-pyridin-2-one

C7H8ClNOS — CID 154094458

IUPAC5-chloro-3-ethylsulfanyl-1H-pyridin-2-one
SMILESCCSc1cc(Cl)c[nH]c1=O
InChIInChI=1S/C7H8ClNOS/c1-2-11-6-3-5(8)4-9-7(6)10/h3-4H,2H2,1H3,(H,9,10)
InChIKeyPONUIIHWTDTKOR-UHFFFAOYSA-N
MW189.67 g/mol
LogP2.14
Rot. Bonds2

About 5-chloro-3-ethylsulfanyl-1H-pyridin-2-one

5-chloro-3-ethylsulfanyl-1H-pyridin-2-one (PubChem CID 154094458) has the molecular formula C7H8ClNOS and a molecular weight of 189.67 g/mol. Its IUPAC name is 5-chloro-3-ethylsulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-ethylsulfanyl-1H-pyridin-2-one
PubChem CID154094458
Molecular FormulaC7H8ClNOS
Molecular Weight189.67 g/mol
Exact Mass189.00
IUPAC Name5-chloro-3-ethylsulfanyl-1H-pyridin-2-one
SMILESCCSc1cc(Cl)c[nH]c1=O
InChIInChI=1S/C7H8ClNOS/c1-2-11-6-3-5(8)4-9-7(6)10/h3-4H,2H2,1H3,(H,9,10)
InChIKeyPONUIIHWTDTKOR-UHFFFAOYSA-N
XLogP2.14
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethylsulfanyl-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-ethylsulfanyl-1H-pyridin-2-one (CID 154094458) is 5-chloro-3-ethylsulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-ethylsulfanyl-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-ethylsulfanyl-1H-pyridin-2-one is CCSc1cc(Cl)c[nH]c1=O.
What is the InChIKey of 5-chloro-3-ethylsulfanyl-1H-pyridin-2-one?
The InChIKey is PONUIIHWTDTKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNOS/c1-2-11-6-3-5(8)4-9-7(6)10/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of 5-chloro-3-ethylsulfanyl-1H-pyridin-2-one?
5-chloro-3-ethylsulfanyl-1H-pyridin-2-one has a molecular weight of 189.67 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethylsulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 154094458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).