5-bromo-4-methoxy-1-(2-thiophen-2-ylethyl)pyridin-2-one

C12H12BrNO2S — CID 91650638

IUPAC5-bromo-4-methoxy-1-(2-thiophen-2-ylethyl)pyridin-2-one
SMILESCOc1cc(=O)n(CCc2cccs2)cc1Br
InChIInChI=1S/C12H12BrNO2S/c1-16-11-7-12(15)14(8-10(11)13)5-4-9-3-2-6-17-9/h2-3,6-8H,4-5H2,1H3
InChIKeyCHFMHMAIFRSZOL-UHFFFAOYSA-N
MW314.20 g/mol
LogP2.92
Rot. Bonds4

About 5-bromo-4-methoxy-1-(2-thiophen-2-ylethyl)pyridin-2-one

5-bromo-4-methoxy-1-(2-thiophen-2-ylethyl)pyridin-2-one (PubChem CID 91650638) has the molecular formula C12H12BrNO2S and a molecular weight of 314.20 g/mol. Its IUPAC name is 5-bromo-4-methoxy-1-(2-thiophen-2-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-4-methoxy-1-(2-thiophen-2-ylethyl)pyridin-2-one
PubChem CID91650638
Molecular FormulaC12H12BrNO2S
Molecular Weight314.20 g/mol
Exact Mass312.98
IUPAC Name5-bromo-4-methoxy-1-(2-thiophen-2-ylethyl)pyridin-2-one
SMILESCOc1cc(=O)n(CCc2cccs2)cc1Br
InChIInChI=1S/C12H12BrNO2S/c1-16-11-7-12(15)14(8-10(11)13)5-4-9-3-2-6-17-9/h2-3,6-8H,4-5H2,1H3
InChIKeyCHFMHMAIFRSZOL-UHFFFAOYSA-N
XLogP2.92
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-methoxy-1-(2-thiophen-2-ylethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-1-(2-thiophen-2-ylethyl)pyridin-2-one
CID 66308274
4-methoxy-1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 91813994
2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid
CID 82901967
N,N-dimethyl-6-oxo-1-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 51103389
3-[2-(5-bromo-4-methoxy-2-oxo-1-pyridinyl)ethoxy]benzonitrile
CID 75453441
4-methoxy-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 91813988
6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 114582136
2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9188295
5-amino-1-[2-[methyl(2-thiophen-2-ylethyl)amino]ethyl]pyridin-2-one
CID 79476260
1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one
CID 116624291
6-bromo-1-(2-thiophen-2-ylethyl)indole-2,3-dione
CID 63774946
[3-bromo-5-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
CID 63776382

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-1-(2-thiophen-2-ylethyl)pyridin-2-one?
The IUPAC name of 5-bromo-4-methoxy-1-(2-thiophen-2-ylethyl)pyridin-2-one (CID 91650638) is 5-bromo-4-methoxy-1-(2-thiophen-2-ylethyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-4-methoxy-1-(2-thiophen-2-ylethyl)pyridin-2-one?
The canonical SMILES for 5-bromo-4-methoxy-1-(2-thiophen-2-ylethyl)pyridin-2-one is COc1cc(=O)n(CCc2cccs2)cc1Br.
What is the InChIKey of 5-bromo-4-methoxy-1-(2-thiophen-2-ylethyl)pyridin-2-one?
The InChIKey is CHFMHMAIFRSZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2S/c1-16-11-7-12(15)14(8-10(11)13)5-4-9-3-2-6-17-9/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 5-bromo-4-methoxy-1-(2-thiophen-2-ylethyl)pyridin-2-one?
5-bromo-4-methoxy-1-(2-thiophen-2-ylethyl)pyridin-2-one has a molecular weight of 314.20 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-1-(2-thiophen-2-ylethyl)pyridin-2-one is sourced from PubChem (CID 91650638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).