5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyridin-2-one

C10H11BrN2O3 — CID 63107158

IUPAC5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)N1CC(O)C1
InChIInChI=1S/C10H11BrN2O3/c11-7-1-2-9(15)12(3-7)6-10(16)13-4-8(14)5-13/h1-3,8,14H,4-6H2
InChIKeyCRMZRSLEBALXSE-UHFFFAOYSA-N
MW287.11 g/mol
LogP-0.19
Rot. Bonds2

About 5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyridin-2-one

5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 63107158) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is 5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyridin-2-one
PubChem CID63107158
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)N1CC(O)C1
InChIInChI=1S/C10H11BrN2O3/c11-7-1-2-9(15)12(3-7)6-10(16)13-4-8(14)5-13/h1-3,8,14H,4-6H2
InChIKeyCRMZRSLEBALXSE-UHFFFAOYSA-N
XLogP-0.19
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyridin-2-one (CID 63107158) is 5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyridin-2-one is O=C(Cn1cc(Br)ccc1=O)N1CC(O)C1.
What is the InChIKey of 5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is CRMZRSLEBALXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c11-7-1-2-9(15)12(3-7)6-10(16)13-4-8(14)5-13/h1-3,8,14H,4-6H2.
What are the key properties of 5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyridin-2-one?
5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 287.11 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 63107158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).