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

C7H8BrNO3S — CID 59326568

IUPAC3-bromo-5-ethylsulfonyl-1H-pyridin-2-one
SMILESCCS(=O)(=O)c1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C7H8BrNO3S/c1-2-13(11,12)5-3-6(8)7(10)9-4-5/h3-4H,2H2,1H3,(H,9,10)
InChIKeyMZTSCCMGQIMSKB-UHFFFAOYSA-N
MW266.12 g/mol
LogP0.93
Rot. Bonds2

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

3-bromo-5-ethylsulfonyl-1H-pyridin-2-one (PubChem CID 59326568) has the molecular formula C7H8BrNO3S and a molecular weight of 266.12 g/mol. Its IUPAC name is 3-bromo-5-ethylsulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-5-ethylsulfonyl-1H-pyridin-2-one
PubChem CID59326568
Molecular FormulaC7H8BrNO3S
Molecular Weight266.12 g/mol
Exact Mass264.94
IUPAC Name3-bromo-5-ethylsulfonyl-1H-pyridin-2-one
SMILESCCS(=O)(=O)c1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C7H8BrNO3S/c1-2-13(11,12)5-3-6(8)7(10)9-4-5/h3-4H,2H2,1H3,(H,9,10)
InChIKeyMZTSCCMGQIMSKB-UHFFFAOYSA-N
XLogP0.93
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethylsulfonyl-1H-pyridin-2-one?
The IUPAC name of 3-bromo-5-ethylsulfonyl-1H-pyridin-2-one (CID 59326568) is 3-bromo-5-ethylsulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-5-ethylsulfonyl-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-5-ethylsulfonyl-1H-pyridin-2-one is CCS(=O)(=O)c1c[nH]c(=O)c(Br)c1.
What is the InChIKey of 3-bromo-5-ethylsulfonyl-1H-pyridin-2-one?
The InChIKey is MZTSCCMGQIMSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO3S/c1-2-13(11,12)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-ethylsulfonyl-1H-pyridin-2-one?
3-bromo-5-ethylsulfonyl-1H-pyridin-2-one has a molecular weight of 266.12 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethylsulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 59326568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).