4-hydroxy-3,6-dimethyl-1H-pyridin-2-one

C7H9NO2 — CID 54723378

IUPAC4-hydroxy-3,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C7H9NO2/c1-4-3-6(9)5(2)7(10)8-4/h3H,1-2H3,(H2,8,9,10)
InChIKeyXMUOZGAKXBMOGL-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.70
Rot. Bonds

About 4-hydroxy-3,6-dimethyl-1H-pyridin-2-one

4-hydroxy-3,6-dimethyl-1H-pyridin-2-one (PubChem CID 54723378) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 4-hydroxy-3,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3,6-dimethyl-1H-pyridin-2-one
PubChem CID54723378
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name4-hydroxy-3,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C7H9NO2/c1-4-3-6(9)5(2)7(10)8-4/h3H,1-2H3,(H2,8,9,10)
InChIKeyXMUOZGAKXBMOGL-UHFFFAOYSA-N
XLogP0.70
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-3,6-dimethyl-1H-pyridin-2-one (CID 54723378) is 4-hydroxy-3,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-3,6-dimethyl-1H-pyridin-2-one is Cc1cc(O)c(C)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-3,6-dimethyl-1H-pyridin-2-one?
The InChIKey is XMUOZGAKXBMOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-4-3-6(9)5(2)7(10)8-4/h3H,1-2H3,(H2,8,9,10).
What are the key properties of 4-hydroxy-3,6-dimethyl-1H-pyridin-2-one?
4-hydroxy-3,6-dimethyl-1H-pyridin-2-one has a molecular weight of 139.15 g/mol, XLogP of 0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 54723378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).