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

C9H13NO2 — CID 70536166

IUPAC1-(3-hydroxy-2-methylpropyl)pyridin-4-one
SMILESCC(CO)Cn1ccc(=O)cc1
InChIInChI=1S/C9H13NO2/c1-8(7-11)6-10-4-2-9(12)3-5-10/h2-5,8,11H,6-7H2,1H3
InChIKeyZDMQNCWDCQYNRG-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.48
Rot. Bonds3

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

1-(3-hydroxy-2-methylpropyl)pyridin-4-one (PubChem CID 70536166) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methylpropyl)pyridin-4-one.

Molecular Properties

Compound Name1-(3-hydroxy-2-methylpropyl)pyridin-4-one
PubChem CID70536166
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(3-hydroxy-2-methylpropyl)pyridin-4-one
SMILESCC(CO)Cn1ccc(=O)cc1
InChIInChI=1S/C9H13NO2/c1-8(7-11)6-10-4-2-9(12)3-5-10/h2-5,8,11H,6-7H2,1H3
InChIKeyZDMQNCWDCQYNRG-UHFFFAOYSA-N
XLogP0.48
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Hydroxypropyl)-3-methylpyridin-4-one
CID 20772150
1-(4-Hydroxybutyl)pyridin-4-one
CID 21388049
1-(3-Hydroxypropyl)-1,4-dihydro-4-pyridone
CID 22624886
1-[2-(Dihydroxymethyl)butyl]pyridin-4-one
CID 67805254
1-[2-(Hydroxymethyl)butyl]pyridin-4-one
CID 70376754
3-Hydroxy-1-(2-methylpropyl)pyridin-4-one
CID 70404169
1-(2-Hydroxypropyl)pyridin-4-one
CID 24741362
1-(2-Hydroxybutyl)pyridin-4-one
CID 62880344
1-(3-Hydroxybutyl)pyridin-4-one
CID 62880517
2-Methyl-3-(4-oxo-1-pyridinyl)propanoic acid
CID 62880826
1-(3-Hydroxybutan-2-yl)pyridin-4-one
CID 78918523
1-(3-Hydroxy-3-methylbutyl)pyridin-4-one
CID 79361560

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-methylpropyl)pyridin-4-one?
The IUPAC name of 1-(3-hydroxy-2-methylpropyl)pyridin-4-one (CID 70536166) is 1-(3-hydroxy-2-methylpropyl)pyridin-4-one.
What is the SMILES notation for 1-(3-hydroxy-2-methylpropyl)pyridin-4-one?
The canonical SMILES for 1-(3-hydroxy-2-methylpropyl)pyridin-4-one is CC(CO)Cn1ccc(=O)cc1.
What is the InChIKey of 1-(3-hydroxy-2-methylpropyl)pyridin-4-one?
The InChIKey is ZDMQNCWDCQYNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-8(7-11)6-10-4-2-9(12)3-5-10/h2-5,8,11H,6-7H2,1H3.
What are the key properties of 1-(3-hydroxy-2-methylpropyl)pyridin-4-one?
1-(3-hydroxy-2-methylpropyl)pyridin-4-one has a molecular weight of 167.21 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methylpropyl)pyridin-4-one is sourced from PubChem (CID 70536166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).