5-bromo-1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one

C13H17BrN2O3 — CID 94155096

IUPAC5-bromo-1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one
SMILESC[C@@H]1CN(C(=O)Cn2cc(Br)ccc2=O)C[C@H](C)O1
InChIInChI=1S/C13H17BrN2O3/c1-9-5-15(6-10(2)19-9)13(18)8-16-7-11(14)3-4-12(16)17/h3-4,7,9-10H,5-6,8H2,1-2H3/t9-,10+
InChIKeyHBAZFNAVCLLSOD-AOOOYVTPSA-N
MW329.19 g/mol
LogP1.25
Rot. Bonds2

About 5-bromo-1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one

5-bromo-1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 94155096) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 5-bromo-1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one
PubChem CID94155096
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name5-bromo-1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one
SMILESC[C@@H]1CN(C(=O)Cn2cc(Br)ccc2=O)C[C@H](C)O1
InChIInChI=1S/C13H17BrN2O3/c1-9-5-15(6-10(2)19-9)13(18)8-16-7-11(14)3-4-12(16)17/h3-4,7,9-10H,5-6,8H2,1-2H3/t9-,10+
InChIKeyHBAZFNAVCLLSOD-AOOOYVTPSA-N
XLogP1.25
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one (CID 94155096) is 5-bromo-1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one is C[C@@H]1CN(C(=O)Cn2cc(Br)ccc2=O)C[C@H](C)O1.
What is the InChIKey of 5-bromo-1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is HBAZFNAVCLLSOD-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-9-5-15(6-10(2)19-9)13(18)8-16-7-11(14)3-4-12(16)17/h3-4,7,9-10H,5-6,8H2,1-2H3/t9-,10+.
What are the key properties of 5-bromo-1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one?
5-bromo-1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 329.19 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 94155096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).