5-bromo-1-[3-(ethylamino)-2-hydroxypropyl]-3-methylpyridin-2-one

C11H17BrN2O2 — CID 83131114

IUPAC5-bromo-1-[3-(ethylamino)-2-hydroxypropyl]-3-methylpyridin-2-one
SMILESCCNCC(O)Cn1cc(Br)cc(C)c1=O
InChIInChI=1S/C11H17BrN2O2/c1-3-13-5-10(15)7-14-6-9(12)4-8(2)11(14)16/h4,6,10,13,15H,3,5,7H2,1-2H3
InChIKeyUYTMAJDZAGYJKW-UHFFFAOYSA-N
MW289.17 g/mol
LogP0.89
Rot. Bonds5

About 5-bromo-1-[3-(ethylamino)-2-hydroxypropyl]-3-methylpyridin-2-one

5-bromo-1-[3-(ethylamino)-2-hydroxypropyl]-3-methylpyridin-2-one (PubChem CID 83131114) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 5-bromo-1-[3-(ethylamino)-2-hydroxypropyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[3-(ethylamino)-2-hydroxypropyl]-3-methylpyridin-2-one
PubChem CID83131114
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name5-bromo-1-[3-(ethylamino)-2-hydroxypropyl]-3-methylpyridin-2-one
SMILESCCNCC(O)Cn1cc(Br)cc(C)c1=O
InChIInChI=1S/C11H17BrN2O2/c1-3-13-5-10(15)7-14-6-9(12)4-8(2)11(14)16/h4,6,10,13,15H,3,5,7H2,1-2H3
InChIKeyUYTMAJDZAGYJKW-UHFFFAOYSA-N
XLogP0.89
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[3-(ethylamino)-2-hydroxypropyl]-3-methylpyridin-2-one?
The IUPAC name of 5-bromo-1-[3-(ethylamino)-2-hydroxypropyl]-3-methylpyridin-2-one (CID 83131114) is 5-bromo-1-[3-(ethylamino)-2-hydroxypropyl]-3-methylpyridin-2-one.
What is the SMILES notation for 5-bromo-1-[3-(ethylamino)-2-hydroxypropyl]-3-methylpyridin-2-one?
The canonical SMILES for 5-bromo-1-[3-(ethylamino)-2-hydroxypropyl]-3-methylpyridin-2-one is CCNCC(O)Cn1cc(Br)cc(C)c1=O.
What is the InChIKey of 5-bromo-1-[3-(ethylamino)-2-hydroxypropyl]-3-methylpyridin-2-one?
The InChIKey is UYTMAJDZAGYJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c1-3-13-5-10(15)7-14-6-9(12)4-8(2)11(14)16/h4,6,10,13,15H,3,5,7H2,1-2H3.
What are the key properties of 5-bromo-1-[3-(ethylamino)-2-hydroxypropyl]-3-methylpyridin-2-one?
5-bromo-1-[3-(ethylamino)-2-hydroxypropyl]-3-methylpyridin-2-one has a molecular weight of 289.17 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[3-(ethylamino)-2-hydroxypropyl]-3-methylpyridin-2-one is sourced from PubChem (CID 83131114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).