5-bromo-1-(3-morpholin-4-ylpropyl)pyridin-2-one

C12H17BrN2O2 — CID 90288810

IUPAC5-bromo-1-(3-morpholin-4-ylpropyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1CCCN1CCOCC1
InChIInChI=1S/C12H17BrN2O2/c13-11-2-3-12(16)15(10-11)5-1-4-14-6-8-17-9-7-14/h2-3,10H,1,4-9H2
InChIKeyYNXBBXSYHHAPMV-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.33
Rot. Bonds4

About 5-bromo-1-(3-morpholin-4-ylpropyl)pyridin-2-one

5-bromo-1-(3-morpholin-4-ylpropyl)pyridin-2-one (PubChem CID 90288810) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 5-bromo-1-(3-morpholin-4-ylpropyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(3-morpholin-4-ylpropyl)pyridin-2-one
PubChem CID90288810
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name5-bromo-1-(3-morpholin-4-ylpropyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1CCCN1CCOCC1
InChIInChI=1S/C12H17BrN2O2/c13-11-2-3-12(16)15(10-11)5-1-4-14-6-8-17-9-7-14/h2-3,10H,1,4-9H2
InChIKeyYNXBBXSYHHAPMV-UHFFFAOYSA-N
XLogP1.33
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3-morpholin-4-ylpropyl)pyridin-2-one?
The IUPAC name of 5-bromo-1-(3-morpholin-4-ylpropyl)pyridin-2-one (CID 90288810) is 5-bromo-1-(3-morpholin-4-ylpropyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-(3-morpholin-4-ylpropyl)pyridin-2-one?
The canonical SMILES for 5-bromo-1-(3-morpholin-4-ylpropyl)pyridin-2-one is O=c1ccc(Br)cn1CCCN1CCOCC1.
What is the InChIKey of 5-bromo-1-(3-morpholin-4-ylpropyl)pyridin-2-one?
The InChIKey is YNXBBXSYHHAPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c13-11-2-3-12(16)15(10-11)5-1-4-14-6-8-17-9-7-14/h2-3,10H,1,4-9H2.
What are the key properties of 5-bromo-1-(3-morpholin-4-ylpropyl)pyridin-2-one?
5-bromo-1-(3-morpholin-4-ylpropyl)pyridin-2-one has a molecular weight of 301.18 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(3-morpholin-4-ylpropyl)pyridin-2-one is sourced from PubChem (CID 90288810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).