2-methyl-3-(trideuteriomethoxy)-1H-pyridin-4-one

C7H9NO2 — CID 87490491

IUPAC2-methyl-3-(trideuteriomethoxy)-1H-pyridin-4-one
SMILES[2H]C([2H])([2H])Oc1c(C)[nH]ccc1=O
InChIInChI=1S/C7H9NO2/c1-5-7(10-2)6(9)3-4-8-5/h3-4H,1-2H3,(H,8,9)/i2D3
InChIKeyGNWSQENQZGWCSW-BMSJAHLVSA-N
MW142.17 g/mol
LogP0.69
Rot. Bonds2

About 2-methyl-3-(trideuteriomethoxy)-1H-pyridin-4-one

2-methyl-3-(trideuteriomethoxy)-1H-pyridin-4-one (PubChem CID 87490491) has the molecular formula C7H9NO2 and a molecular weight of 142.17 g/mol. Its IUPAC name is 2-methyl-3-(trideuteriomethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-3-(trideuteriomethoxy)-1H-pyridin-4-one
PubChem CID87490491
Molecular FormulaC7H9NO2
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name2-methyl-3-(trideuteriomethoxy)-1H-pyridin-4-one
SMILES[2H]C([2H])([2H])Oc1c(C)[nH]ccc1=O
InChIInChI=1S/C7H9NO2/c1-5-7(10-2)6(9)3-4-8-5/h3-4H,1-2H3,(H,8,9)/i2D3
InChIKeyGNWSQENQZGWCSW-BMSJAHLVSA-N
XLogP0.69
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(trideuteriomethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-methyl-3-(trideuteriomethoxy)-1H-pyridin-4-one (CID 87490491) is 2-methyl-3-(trideuteriomethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-3-(trideuteriomethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-3-(trideuteriomethoxy)-1H-pyridin-4-one is [2H]C([2H])([2H])Oc1c(C)[nH]ccc1=O.
What is the InChIKey of 2-methyl-3-(trideuteriomethoxy)-1H-pyridin-4-one?
The InChIKey is GNWSQENQZGWCSW-BMSJAHLVSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5-7(10-2)6(9)3-4-8-5/h3-4H,1-2H3,(H,8,9)/i2D3.
What are the key properties of 2-methyl-3-(trideuteriomethoxy)-1H-pyridin-4-one?
2-methyl-3-(trideuteriomethoxy)-1H-pyridin-4-one has a molecular weight of 142.17 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(trideuteriomethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 87490491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).