5-hydroxy-3,6-dimethyl-3H-pyridin-4-one

C7H9NO2 — CID 18314882

IUPAC5-hydroxy-3,6-dimethyl-3H-pyridin-4-one
SMILESCC1=C(O)C(=O)C(C)C=N1
InChIInChI=1S/C7H9NO2/c1-4-3-8-5(2)7(10)6(4)9/h3-4,10H,1-2H3
InChIKeyNRUJSPQCGJXDLN-UHFFFAOYSA-N
MW139.15 g/mol
LogP1.07
Rot. Bonds

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

5-hydroxy-3,6-dimethyl-3H-pyridin-4-one (PubChem CID 18314882) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 5-hydroxy-3,6-dimethyl-3H-pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-3,6-dimethyl-3H-pyridin-4-one
PubChem CID18314882
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name5-hydroxy-3,6-dimethyl-3H-pyridin-4-one
SMILESCC1=C(O)C(=O)C(C)C=N1
InChIInChI=1S/C7H9NO2/c1-4-3-8-5(2)7(10)6(4)9/h3-4,10H,1-2H3
InChIKeyNRUJSPQCGJXDLN-UHFFFAOYSA-N
XLogP1.07
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,6-dimethyl-3H-pyridin-4-one?
The IUPAC name of 5-hydroxy-3,6-dimethyl-3H-pyridin-4-one (CID 18314882) is 5-hydroxy-3,6-dimethyl-3H-pyridin-4-one.
What is the SMILES notation for 5-hydroxy-3,6-dimethyl-3H-pyridin-4-one?
The canonical SMILES for 5-hydroxy-3,6-dimethyl-3H-pyridin-4-one is CC1=C(O)C(=O)C(C)C=N1.
What is the InChIKey of 5-hydroxy-3,6-dimethyl-3H-pyridin-4-one?
The InChIKey is NRUJSPQCGJXDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-4-3-8-5(2)7(10)6(4)9/h3-4,10H,1-2H3.
What are the key properties of 5-hydroxy-3,6-dimethyl-3H-pyridin-4-one?
5-hydroxy-3,6-dimethyl-3H-pyridin-4-one has a molecular weight of 139.15 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,6-dimethyl-3H-pyridin-4-one is sourced from PubChem (CID 18314882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).