3-(deuteriomethoxy)-1,2-dimethylpyridin-4-one

C8H11NO2 — CID 118488333

IUPAC3-(deuteriomethoxy)-1,2-dimethylpyridin-4-one
SMILES[2H]COc1c(C)n(C)ccc1=O
InChIInChI=1S/C8H11NO2/c1-6-8(11-3)7(10)4-5-9(6)2/h4-5H,1-3H3/i3D
InChIKeyRUHDPEYOMXHWPM-WFVSFCRTSA-N
MW154.19 g/mol
LogP0.70
Rot. Bonds2

About 3-(deuteriomethoxy)-1,2-dimethylpyridin-4-one

3-(deuteriomethoxy)-1,2-dimethylpyridin-4-one (PubChem CID 118488333) has the molecular formula C8H11NO2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 3-(deuteriomethoxy)-1,2-dimethylpyridin-4-one.

Molecular Properties

Compound Name3-(deuteriomethoxy)-1,2-dimethylpyridin-4-one
PubChem CID118488333
Molecular FormulaC8H11NO2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name3-(deuteriomethoxy)-1,2-dimethylpyridin-4-one
SMILES[2H]COc1c(C)n(C)ccc1=O
InChIInChI=1S/C8H11NO2/c1-6-8(11-3)7(10)4-5-9(6)2/h4-5H,1-3H3/i3D
InChIKeyRUHDPEYOMXHWPM-WFVSFCRTSA-N
XLogP0.70
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(deuteriomethoxy)-1,2-dimethylpyridin-4-one?
The IUPAC name of 3-(deuteriomethoxy)-1,2-dimethylpyridin-4-one (CID 118488333) is 3-(deuteriomethoxy)-1,2-dimethylpyridin-4-one.
What is the SMILES notation for 3-(deuteriomethoxy)-1,2-dimethylpyridin-4-one?
The canonical SMILES for 3-(deuteriomethoxy)-1,2-dimethylpyridin-4-one is [2H]COc1c(C)n(C)ccc1=O.
What is the InChIKey of 3-(deuteriomethoxy)-1,2-dimethylpyridin-4-one?
The InChIKey is RUHDPEYOMXHWPM-WFVSFCRTSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-8(11-3)7(10)4-5-9(6)2/h4-5H,1-3H3/i3D.
What are the key properties of 3-(deuteriomethoxy)-1,2-dimethylpyridin-4-one?
3-(deuteriomethoxy)-1,2-dimethylpyridin-4-one has a molecular weight of 154.19 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(deuteriomethoxy)-1,2-dimethylpyridin-4-one is sourced from PubChem (CID 118488333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).