1-[(4-bromophenyl)sulfanylmethyl]pyridin-2-one

C12H10BrNOS — CID 156684466

IUPAC1-[(4-bromophenyl)sulfanylmethyl]pyridin-2-one
SMILESO=c1ccccn1CSc1ccc(Br)cc1
InChIInChI=1S/C12H10BrNOS/c13-10-4-6-11(7-5-10)16-9-14-8-2-1-3-12(14)15/h1-8H,9H2
InChIKeyHGUFKRCEQILNPG-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.36
Rot. Bonds3

About 1-[(4-bromophenyl)sulfanylmethyl]pyridin-2-one

1-[(4-bromophenyl)sulfanylmethyl]pyridin-2-one (PubChem CID 156684466) has the molecular formula C12H10BrNOS and a molecular weight of 296.19 g/mol. Its IUPAC name is 1-[(4-bromophenyl)sulfanylmethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(4-bromophenyl)sulfanylmethyl]pyridin-2-one
PubChem CID156684466
Molecular FormulaC12H10BrNOS
Molecular Weight296.19 g/mol
Exact Mass294.97
IUPAC Name1-[(4-bromophenyl)sulfanylmethyl]pyridin-2-one
SMILESO=c1ccccn1CSc1ccc(Br)cc1
InChIInChI=1S/C12H10BrNOS/c13-10-4-6-11(7-5-10)16-9-14-8-2-1-3-12(14)15/h1-8H,9H2
InChIKeyHGUFKRCEQILNPG-UHFFFAOYSA-N
XLogP3.36
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)sulfanylmethyl]pyridin-2-one?
The IUPAC name of 1-[(4-bromophenyl)sulfanylmethyl]pyridin-2-one (CID 156684466) is 1-[(4-bromophenyl)sulfanylmethyl]pyridin-2-one.
What is the SMILES notation for 1-[(4-bromophenyl)sulfanylmethyl]pyridin-2-one?
The canonical SMILES for 1-[(4-bromophenyl)sulfanylmethyl]pyridin-2-one is O=c1ccccn1CSc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)sulfanylmethyl]pyridin-2-one?
The InChIKey is HGUFKRCEQILNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNOS/c13-10-4-6-11(7-5-10)16-9-14-8-2-1-3-12(14)15/h1-8H,9H2.
What are the key properties of 1-[(4-bromophenyl)sulfanylmethyl]pyridin-2-one?
1-[(4-bromophenyl)sulfanylmethyl]pyridin-2-one has a molecular weight of 296.19 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)sulfanylmethyl]pyridin-2-one is sourced from PubChem (CID 156684466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).