3-hydroxy-1-(2-methylpropyl)pyridin-4-one

C9H13NO2 — CID 70404169

IUPAC3-hydroxy-1-(2-methylpropyl)pyridin-4-one
SMILESCC(C)Cn1ccc(=O)c(O)c1
InChIInChI=1S/C9H13NO2/c1-7(2)5-10-4-3-8(11)9(12)6-10/h3-4,6-7,12H,5H2,1-2H3
InChIKeyUEFWAIJAGHJJHG-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.21
Rot. Bonds2

About 3-hydroxy-1-(2-methylpropyl)pyridin-4-one

3-hydroxy-1-(2-methylpropyl)pyridin-4-one (PubChem CID 70404169) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-hydroxy-1-(2-methylpropyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-(2-methylpropyl)pyridin-4-one
PubChem CID70404169
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-hydroxy-1-(2-methylpropyl)pyridin-4-one
SMILESCC(C)Cn1ccc(=O)c(O)c1
InChIInChI=1S/C9H13NO2/c1-7(2)5-10-4-3-8(11)9(12)6-10/h3-4,6-7,12H,5H2,1-2H3
InChIKeyUEFWAIJAGHJJHG-UHFFFAOYSA-N
XLogP1.21
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-methylpropyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-1-(2-methylpropyl)pyridin-4-one (CID 70404169) is 3-hydroxy-1-(2-methylpropyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-(2-methylpropyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-1-(2-methylpropyl)pyridin-4-one is CC(C)Cn1ccc(=O)c(O)c1.
What is the InChIKey of 3-hydroxy-1-(2-methylpropyl)pyridin-4-one?
The InChIKey is UEFWAIJAGHJJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7(2)5-10-4-3-8(11)9(12)6-10/h3-4,6-7,12H,5H2,1-2H3.
What are the key properties of 3-hydroxy-1-(2-methylpropyl)pyridin-4-one?
3-hydroxy-1-(2-methylpropyl)pyridin-4-one has a molecular weight of 167.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-methylpropyl)pyridin-4-one is sourced from PubChem (CID 70404169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).