3,5-dibromo-1-(ethylsulfanylmethyl)pyridin-2-one

C8H9Br2NOS — CID 131107605

IUPAC3,5-dibromo-1-(ethylsulfanylmethyl)pyridin-2-one
SMILESCCSCn1cc(Br)cc(Br)c1=O
InChIInChI=1S/C8H9Br2NOS/c1-2-13-5-11-4-6(9)3-7(10)8(11)12/h3-4H,2,5H2,1H3
InChIKeyCXSZRULLDHJSTQ-UHFFFAOYSA-N
MW327.04 g/mol
LogP3.08
Rot. Bonds3

About 3,5-dibromo-1-(ethylsulfanylmethyl)pyridin-2-one

3,5-dibromo-1-(ethylsulfanylmethyl)pyridin-2-one (PubChem CID 131107605) has the molecular formula C8H9Br2NOS and a molecular weight of 327.04 g/mol. Its IUPAC name is 3,5-dibromo-1-(ethylsulfanylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3,5-dibromo-1-(ethylsulfanylmethyl)pyridin-2-one
PubChem CID131107605
Molecular FormulaC8H9Br2NOS
Molecular Weight327.04 g/mol
Exact Mass324.88
IUPAC Name3,5-dibromo-1-(ethylsulfanylmethyl)pyridin-2-one
SMILESCCSCn1cc(Br)cc(Br)c1=O
InChIInChI=1S/C8H9Br2NOS/c1-2-13-5-11-4-6(9)3-7(10)8(11)12/h3-4H,2,5H2,1H3
InChIKeyCXSZRULLDHJSTQ-UHFFFAOYSA-N
XLogP3.08
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.04
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-(ethylsulfanylmethyl)pyridin-2-one?
The IUPAC name of 3,5-dibromo-1-(ethylsulfanylmethyl)pyridin-2-one (CID 131107605) is 3,5-dibromo-1-(ethylsulfanylmethyl)pyridin-2-one.
What is the SMILES notation for 3,5-dibromo-1-(ethylsulfanylmethyl)pyridin-2-one?
The canonical SMILES for 3,5-dibromo-1-(ethylsulfanylmethyl)pyridin-2-one is CCSCn1cc(Br)cc(Br)c1=O.
What is the InChIKey of 3,5-dibromo-1-(ethylsulfanylmethyl)pyridin-2-one?
The InChIKey is CXSZRULLDHJSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2NOS/c1-2-13-5-11-4-6(9)3-7(10)8(11)12/h3-4H,2,5H2,1H3.
What are the key properties of 3,5-dibromo-1-(ethylsulfanylmethyl)pyridin-2-one?
3,5-dibromo-1-(ethylsulfanylmethyl)pyridin-2-one has a molecular weight of 327.04 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-(ethylsulfanylmethyl)pyridin-2-one is sourced from PubChem (CID 131107605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).