3-bromo-1-methyl-5-morpholin-4-ylpyridin-2-one

C10H13BrN2O2 — CID 90409027

IUPAC3-bromo-1-methyl-5-morpholin-4-ylpyridin-2-one
SMILESCn1cc(N2CCOCC2)cc(Br)c1=O
InChIInChI=1S/C10H13BrN2O2/c1-12-7-8(6-9(11)10(12)14)13-2-4-15-5-3-13/h6-7H,2-5H2,1H3
InChIKeyAUTYSSYMDLHHNV-UHFFFAOYSA-N
MW273.13 g/mol
LogP0.98
Rot. Bonds1

About 3-bromo-1-methyl-5-morpholin-4-ylpyridin-2-one

3-bromo-1-methyl-5-morpholin-4-ylpyridin-2-one (PubChem CID 90409027) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 3-bromo-1-methyl-5-morpholin-4-ylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-methyl-5-morpholin-4-ylpyridin-2-one
PubChem CID90409027
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name3-bromo-1-methyl-5-morpholin-4-ylpyridin-2-one
SMILESCn1cc(N2CCOCC2)cc(Br)c1=O
InChIInChI=1S/C10H13BrN2O2/c1-12-7-8(6-9(11)10(12)14)13-2-4-15-5-3-13/h6-7H,2-5H2,1H3
InChIKeyAUTYSSYMDLHHNV-UHFFFAOYSA-N
XLogP0.98
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-5-morpholin-4-ylpyridin-2-one?
The IUPAC name of 3-bromo-1-methyl-5-morpholin-4-ylpyridin-2-one (CID 90409027) is 3-bromo-1-methyl-5-morpholin-4-ylpyridin-2-one.
What is the SMILES notation for 3-bromo-1-methyl-5-morpholin-4-ylpyridin-2-one?
The canonical SMILES for 3-bromo-1-methyl-5-morpholin-4-ylpyridin-2-one is Cn1cc(N2CCOCC2)cc(Br)c1=O.
What is the InChIKey of 3-bromo-1-methyl-5-morpholin-4-ylpyridin-2-one?
The InChIKey is AUTYSSYMDLHHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-12-7-8(6-9(11)10(12)14)13-2-4-15-5-3-13/h6-7H,2-5H2,1H3.
What are the key properties of 3-bromo-1-methyl-5-morpholin-4-ylpyridin-2-one?
3-bromo-1-methyl-5-morpholin-4-ylpyridin-2-one has a molecular weight of 273.13 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-5-morpholin-4-ylpyridin-2-one is sourced from PubChem (CID 90409027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).