5-bromo-1-[2-[2-(difluoromethyl)morpholin-4-yl]-2-oxoethyl]pyridin-2-one

C12H13BrF2N2O3 — CID 126799067

IUPAC5-bromo-1-[2-[2-(difluoromethyl)morpholin-4-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)N1CCOC(C(F)F)C1
InChIInChI=1S/C12H13BrF2N2O3/c13-8-1-2-10(18)17(5-8)7-11(19)16-3-4-20-9(6-16)12(14)15/h1-2,5,9,12H,3-4,6-7H2
InChIKeyZQBXBJOZONHNOW-UHFFFAOYSA-N
MW351.15 g/mol
LogP1.10
Rot. Bonds3

About 5-bromo-1-[2-[2-(difluoromethyl)morpholin-4-yl]-2-oxoethyl]pyridin-2-one

5-bromo-1-[2-[2-(difluoromethyl)morpholin-4-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 126799067) has the molecular formula C12H13BrF2N2O3 and a molecular weight of 351.15 g/mol. Its IUPAC name is 5-bromo-1-[2-[2-(difluoromethyl)morpholin-4-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-[2-(difluoromethyl)morpholin-4-yl]-2-oxoethyl]pyridin-2-one
PubChem CID126799067
Molecular FormulaC12H13BrF2N2O3
Molecular Weight351.15 g/mol
Exact Mass350.01
IUPAC Name5-bromo-1-[2-[2-(difluoromethyl)morpholin-4-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)N1CCOC(C(F)F)C1
InChIInChI=1S/C12H13BrF2N2O3/c13-8-1-2-10(18)17(5-8)7-11(19)16-3-4-20-9(6-16)12(14)15/h1-2,5,9,12H,3-4,6-7H2
InChIKeyZQBXBJOZONHNOW-UHFFFAOYSA-N
XLogP1.10
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.15
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-1-[2-[2-(difluoromethyl)morpholin-4-yl]-2-oxoethyl]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-1-[2-[2-(difluoromethyl)morpholin-4-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-[2-(difluoromethyl)morpholin-4-yl]-2-oxoethyl]pyridin-2-one (CID 126799067) is 5-bromo-1-[2-[2-(difluoromethyl)morpholin-4-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-[2-(difluoromethyl)morpholin-4-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-[2-(difluoromethyl)morpholin-4-yl]-2-oxoethyl]pyridin-2-one is O=C(Cn1cc(Br)ccc1=O)N1CCOC(C(F)F)C1.
What is the InChIKey of 5-bromo-1-[2-[2-(difluoromethyl)morpholin-4-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is ZQBXBJOZONHNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2N2O3/c13-8-1-2-10(18)17(5-8)7-11(19)16-3-4-20-9(6-16)12(14)15/h1-2,5,9,12H,3-4,6-7H2.
What are the key properties of 5-bromo-1-[2-[2-(difluoromethyl)morpholin-4-yl]-2-oxoethyl]pyridin-2-one?
5-bromo-1-[2-[2-(difluoromethyl)morpholin-4-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 351.15 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-[2-(difluoromethyl)morpholin-4-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 126799067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).