5-bromo-3-(3-methylmorpholin-4-yl)-1H-pyridin-2-one

C10H13BrN2O2 — CID 166124627

IUPAC5-bromo-3-(3-methylmorpholin-4-yl)-1H-pyridin-2-one
SMILESCC1COCCN1c1cc(Br)c[nH]c1=O
InChIInChI=1S/C10H13BrN2O2/c1-7-6-15-3-2-13(7)9-4-8(11)5-12-10(9)14/h4-5,7H,2-3,6H2,1H3,(H,12,14)
InChIKeyUIOHGUHVTDFGSU-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.36
Rot. Bonds1

About 5-bromo-3-(3-methylmorpholin-4-yl)-1H-pyridin-2-one

5-bromo-3-(3-methylmorpholin-4-yl)-1H-pyridin-2-one (PubChem CID 166124627) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-bromo-3-(3-methylmorpholin-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-(3-methylmorpholin-4-yl)-1H-pyridin-2-one
PubChem CID166124627
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name5-bromo-3-(3-methylmorpholin-4-yl)-1H-pyridin-2-one
SMILESCC1COCCN1c1cc(Br)c[nH]c1=O
InChIInChI=1S/C10H13BrN2O2/c1-7-6-15-3-2-13(7)9-4-8(11)5-12-10(9)14/h4-5,7H,2-3,6H2,1H3,(H,12,14)
InChIKeyUIOHGUHVTDFGSU-UHFFFAOYSA-N
XLogP1.36
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-3-(3-methylmorpholin-4-yl)-1H-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-(3-methylmorpholin-4-yl)-1H-pyridin-2-one?
The IUPAC name of 5-bromo-3-(3-methylmorpholin-4-yl)-1H-pyridin-2-one (CID 166124627) is 5-bromo-3-(3-methylmorpholin-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-3-(3-methylmorpholin-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-3-(3-methylmorpholin-4-yl)-1H-pyridin-2-one is CC1COCCN1c1cc(Br)c[nH]c1=O.
What is the InChIKey of 5-bromo-3-(3-methylmorpholin-4-yl)-1H-pyridin-2-one?
The InChIKey is UIOHGUHVTDFGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-7-6-15-3-2-13(7)9-4-8(11)5-12-10(9)14/h4-5,7H,2-3,6H2,1H3,(H,12,14).
What are the key properties of 5-bromo-3-(3-methylmorpholin-4-yl)-1H-pyridin-2-one?
5-bromo-3-(3-methylmorpholin-4-yl)-1H-pyridin-2-one has a molecular weight of 273.13 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-methylmorpholin-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 166124627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).