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

C7H8BrNOS — CID 143993040

IUPAC3-bromo-5-ethylsulfanyl-1H-pyridin-2-one
SMILESCCSc1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C7H8BrNOS/c1-2-11-5-3-6(8)7(10)9-4-5/h3-4H,2H2,1H3,(H,9,10)
InChIKeyCMZFRRZSAVWAEA-UHFFFAOYSA-N
MW234.12 g/mol
LogP2.25
Rot. Bonds2

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

3-bromo-5-ethylsulfanyl-1H-pyridin-2-one (PubChem CID 143993040) has the molecular formula C7H8BrNOS and a molecular weight of 234.12 g/mol. Its IUPAC name is 3-bromo-5-ethylsulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-5-ethylsulfanyl-1H-pyridin-2-one
PubChem CID143993040
Molecular FormulaC7H8BrNOS
Molecular Weight234.12 g/mol
Exact Mass232.95
IUPAC Name3-bromo-5-ethylsulfanyl-1H-pyridin-2-one
SMILESCCSc1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C7H8BrNOS/c1-2-11-5-3-6(8)7(10)9-4-5/h3-4H,2H2,1H3,(H,9,10)
InChIKeyCMZFRRZSAVWAEA-UHFFFAOYSA-N
XLogP2.25
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-Isopropylsulfanylpyridin-2-ol
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3-bromo-5-methylsulfonyl-1H-pyridin-2-one
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5-ethylsulfanyl-1H-pyridin-2-one
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3-bromo-5-sulfanyl-1H-pyridin-2-one
CID 150972651
3,5-Dibromo-1-(2-ethylsulfanylethyl)pyridin-2-one
CID 104438633
3,5-Dibromo-1-(ethylsulfanylmethyl)pyridin-2-one
CID 131107605
5-bromo-3-ethylsulfonyl-1H-pyridin-2-one
CID 154121419
5-bromo-3-propylsulfonyl-1H-pyridin-2-one
CID 172413524
5-bromo-3-propan-2-ylsulfonyl-1H-pyridin-2-one
CID 172413525

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethylsulfanyl-1H-pyridin-2-one?
The IUPAC name of 3-bromo-5-ethylsulfanyl-1H-pyridin-2-one (CID 143993040) is 3-bromo-5-ethylsulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-5-ethylsulfanyl-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-5-ethylsulfanyl-1H-pyridin-2-one is CCSc1c[nH]c(=O)c(Br)c1.
What is the InChIKey of 3-bromo-5-ethylsulfanyl-1H-pyridin-2-one?
The InChIKey is CMZFRRZSAVWAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNOS/c1-2-11-5-3-6(8)7(10)9-4-5/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of 3-bromo-5-ethylsulfanyl-1H-pyridin-2-one?
3-bromo-5-ethylsulfanyl-1H-pyridin-2-one has a molecular weight of 234.12 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethylsulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 143993040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).