3-hydroxy-2-methyl-1-(trideuteriomethyl)pyridin-4-one

C7H9NO2 — CID 119057248

IUPAC3-hydroxy-2-methyl-1-(trideuteriomethyl)pyridin-4-one
SMILES[2H]C([2H])([2H])n1ccc(=O)c(O)c1C
InChIInChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3/i2D3
InChIKeyTZXKOCQBRNJULO-BMSJAHLVSA-N
MW142.17 g/mol
LogP0.40
Rot. Bonds1

About 3-hydroxy-2-methyl-1-(trideuteriomethyl)pyridin-4-one

3-hydroxy-2-methyl-1-(trideuteriomethyl)pyridin-4-one (PubChem CID 119057248) has the molecular formula C7H9NO2 and a molecular weight of 142.17 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1-(trideuteriomethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1-(trideuteriomethyl)pyridin-4-one
PubChem CID119057248
Molecular FormulaC7H9NO2
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name3-hydroxy-2-methyl-1-(trideuteriomethyl)pyridin-4-one
SMILES[2H]C([2H])([2H])n1ccc(=O)c(O)c1C
InChIInChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3/i2D3
InChIKeyTZXKOCQBRNJULO-BMSJAHLVSA-N
XLogP0.40
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-1-(trideuteriomethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-2-methyl-1-(trideuteriomethyl)pyridin-4-one (CID 119057248) is 3-hydroxy-2-methyl-1-(trideuteriomethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-methyl-1-(trideuteriomethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-2-methyl-1-(trideuteriomethyl)pyridin-4-one is [2H]C([2H])([2H])n1ccc(=O)c(O)c1C.
What is the InChIKey of 3-hydroxy-2-methyl-1-(trideuteriomethyl)pyridin-4-one?
The InChIKey is TZXKOCQBRNJULO-BMSJAHLVSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3/i2D3.
What are the key properties of 3-hydroxy-2-methyl-1-(trideuteriomethyl)pyridin-4-one?
3-hydroxy-2-methyl-1-(trideuteriomethyl)pyridin-4-one has a molecular weight of 142.17 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1-(trideuteriomethyl)pyridin-4-one is sourced from PubChem (CID 119057248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).