5-bromo-3-methyl-1-(2-propoxyethyl)pyridin-2-one

C11H16BrNO2 — CID 106455788

IUPAC5-bromo-3-methyl-1-(2-propoxyethyl)pyridin-2-one
SMILESCCCOCCn1cc(Br)cc(C)c1=O
InChIInChI=1S/C11H16BrNO2/c1-3-5-15-6-4-13-8-10(12)7-9(2)11(13)14/h7-8H,3-6H2,1-2H3
InChIKeyXNYQLQXJNXNFHD-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.35
Rot. Bonds5

About 5-bromo-3-methyl-1-(2-propoxyethyl)pyridin-2-one

5-bromo-3-methyl-1-(2-propoxyethyl)pyridin-2-one (PubChem CID 106455788) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-3-methyl-1-(2-propoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-methyl-1-(2-propoxyethyl)pyridin-2-one
PubChem CID106455788
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name5-bromo-3-methyl-1-(2-propoxyethyl)pyridin-2-one
SMILESCCCOCCn1cc(Br)cc(C)c1=O
InChIInChI=1S/C11H16BrNO2/c1-3-5-15-6-4-13-8-10(12)7-9(2)11(13)14/h7-8H,3-6H2,1-2H3
InChIKeyXNYQLQXJNXNFHD-UHFFFAOYSA-N
XLogP2.35
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-bromo-3-methyl-1-(2-propoxyethyl)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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-1-(2-propoxyethyl)pyridin-2-one?
The IUPAC name of 5-bromo-3-methyl-1-(2-propoxyethyl)pyridin-2-one (CID 106455788) is 5-bromo-3-methyl-1-(2-propoxyethyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-3-methyl-1-(2-propoxyethyl)pyridin-2-one?
The canonical SMILES for 5-bromo-3-methyl-1-(2-propoxyethyl)pyridin-2-one is CCCOCCn1cc(Br)cc(C)c1=O.
What is the InChIKey of 5-bromo-3-methyl-1-(2-propoxyethyl)pyridin-2-one?
The InChIKey is XNYQLQXJNXNFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-3-5-15-6-4-13-8-10(12)7-9(2)11(13)14/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-bromo-3-methyl-1-(2-propoxyethyl)pyridin-2-one?
5-bromo-3-methyl-1-(2-propoxyethyl)pyridin-2-one has a molecular weight of 274.16 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-1-(2-propoxyethyl)pyridin-2-one is sourced from PubChem (CID 106455788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).