4-hydroxy-1,3,6-trimethylpyridin-2-one

C8H11NO2 — CID 141296434

IUPAC4-hydroxy-1,3,6-trimethylpyridin-2-one
SMILESCc1c(O)cc(C)n(C)c1=O
InChIInChI=1S/C8H11NO2/c1-5-4-7(10)6(2)8(11)9(5)3/h4,10H,1-3H3
InChIKeyDERTZUPUGGIAHK-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.71
Rot. Bonds

About 4-hydroxy-1,3,6-trimethylpyridin-2-one

4-hydroxy-1,3,6-trimethylpyridin-2-one (PubChem CID 141296434) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-hydroxy-1,3,6-trimethylpyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1,3,6-trimethylpyridin-2-one
PubChem CID141296434
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4-hydroxy-1,3,6-trimethylpyridin-2-one
SMILESCc1c(O)cc(C)n(C)c1=O
InChIInChI=1S/C8H11NO2/c1-5-4-7(10)6(2)8(11)9(5)3/h4,10H,1-3H3
InChIKeyDERTZUPUGGIAHK-UHFFFAOYSA-N
XLogP0.71
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-1,6-dimethyl-1,2-dihydropyridin-2-one
CID 54676118
1-ethyl-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54680702
1-Cyclopropyl-4-hydroxy-6-methyl-1,2-dihydropyridin-2-one
CID 54704852
2(1H)-Pyridone, 3-acetyl-4-hydroxy-1,6-dimethyl-
CID 54691703
4-Hydroxy-1,6-dimethyl-3-prop-2-enylpyridin-2-one
CID 86100388
1-Butyl-4-hydroxy-6-(trifluoromethyl)pyridin-2-one
CID 172416749
4-Hydroxy-1-propyl-6-(trifluoromethyl)pyridin-2-one
CID 172416750
4-Hydroxy-1-(2-methylpropyl)-6-(trifluoromethyl)pyridin-2-one
CID 172416751
4-Methoxy-1,3,6-trimethylpyridin-2-one
CID 20671484
7-Hydroxy-3-methylquinolizin-4-one
CID 21364158
4-Hydroxy-6-methyl-1-propylpyridin-2(1H)-one
CID 54678658
1-allyl-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54687827

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,3,6-trimethylpyridin-2-one?
The IUPAC name of 4-hydroxy-1,3,6-trimethylpyridin-2-one (CID 141296434) is 4-hydroxy-1,3,6-trimethylpyridin-2-one.
What is the SMILES notation for 4-hydroxy-1,3,6-trimethylpyridin-2-one?
The canonical SMILES for 4-hydroxy-1,3,6-trimethylpyridin-2-one is Cc1c(O)cc(C)n(C)c1=O.
What is the InChIKey of 4-hydroxy-1,3,6-trimethylpyridin-2-one?
The InChIKey is DERTZUPUGGIAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-4-7(10)6(2)8(11)9(5)3/h4,10H,1-3H3.
What are the key properties of 4-hydroxy-1,3,6-trimethylpyridin-2-one?
4-hydroxy-1,3,6-trimethylpyridin-2-one has a molecular weight of 153.18 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,3,6-trimethylpyridin-2-one is sourced from PubChem (CID 141296434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).