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

C9H13NO2 — CID 70020364

IUPAC5-ethyl-3-hydroxy-4,6-dimethyl-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(O)c1C
InChIInChI=1S/C9H13NO2/c1-4-7-5(2)8(11)9(12)10-6(7)3/h11H,4H2,1-3H3,(H,10,12)
InChIKeyWXUIPNCGUKOGMZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.26
Rot. Bonds1

About 5-ethyl-3-hydroxy-4,6-dimethyl-1H-pyridin-2-one

5-ethyl-3-hydroxy-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 70020364) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-ethyl-3-hydroxy-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-ethyl-3-hydroxy-4,6-dimethyl-1H-pyridin-2-one
PubChem CID70020364
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name5-ethyl-3-hydroxy-4,6-dimethyl-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(O)c1C
InChIInChI=1S/C9H13NO2/c1-4-7-5(2)8(11)9(12)10-6(7)3/h11H,4H2,1-3H3,(H,10,12)
InChIKeyWXUIPNCGUKOGMZ-UHFFFAOYSA-N
XLogP1.26
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-hydroxy-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 5-ethyl-3-hydroxy-4,6-dimethyl-1H-pyridin-2-one (CID 70020364) is 5-ethyl-3-hydroxy-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 5-ethyl-3-hydroxy-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 5-ethyl-3-hydroxy-4,6-dimethyl-1H-pyridin-2-one is CCc1c(C)[nH]c(=O)c(O)c1C.
What is the InChIKey of 5-ethyl-3-hydroxy-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is WXUIPNCGUKOGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-4-7-5(2)8(11)9(12)10-6(7)3/h11H,4H2,1-3H3,(H,10,12).
What are the key properties of 5-ethyl-3-hydroxy-4,6-dimethyl-1H-pyridin-2-one?
5-ethyl-3-hydroxy-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-hydroxy-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 70020364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).