1-(3,4-dihydroxybutyl)-2-methylpyridin-4-one

C10H15NO3 — CID 67805890

IUPAC1-(3,4-dihydroxybutyl)-2-methylpyridin-4-one
SMILESCc1cc(=O)ccn1CCC(O)CO
InChIInChI=1S/C10H15NO3/c1-8-6-9(13)2-4-11(8)5-3-10(14)7-12/h2,4,6,10,12,14H,3,5,7H2,1H3
InChIKeyZKCAAMZQJQNKEB-UHFFFAOYSA-N
MW197.23 g/mol
LogP-0.10
Rot. Bonds4

About 1-(3,4-dihydroxybutyl)-2-methylpyridin-4-one

1-(3,4-dihydroxybutyl)-2-methylpyridin-4-one (PubChem CID 67805890) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-(3,4-dihydroxybutyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(3,4-dihydroxybutyl)-2-methylpyridin-4-one
PubChem CID67805890
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-(3,4-dihydroxybutyl)-2-methylpyridin-4-one
SMILESCc1cc(=O)ccn1CCC(O)CO
InChIInChI=1S/C10H15NO3/c1-8-6-9(13)2-4-11(8)5-3-10(14)7-12/h2,4,6,10,12,14H,3,5,7H2,1H3
InChIKeyZKCAAMZQJQNKEB-UHFFFAOYSA-N
XLogP-0.10
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydroxybutyl)-2-methylpyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4(1H)-Pyridinone, 3-hydroxy-1-(4-hydroxybutyl)-2
CID 9794189
4-Pyridone,3-hydroxy-2-ethyl-1-(4-hydroxy)butyl
CID 10330791
3-Hydroxy-1-(3-hydroxybutyl)-2-methylpyridin-4-one
CID 50898624
4-[Ethyl(4-hydroxybutyl)amino]pent-3-en-2-one
CID 54324327
1-(2,3-Dihydroxypropyl)-2,3-dimethylpyridin-4-one
CID 59933813
1-(3,4-Dihydroxybutyl)-2-methylpyridin-4-one;hydrochloride
CID 67805889
1-(3,4-Dihydroxybutyl)-3-hydroxy-2-methylpyridin-4-one
CID 68232931
1-(2,3-Dihydroxypropyl)-2-methylpyridin-4-one
CID 70376735
(Z)-4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one
CID 88632177
(E)-4-[ethyl(4-hydroxybutyl)amino]pent-3-en-2-one
CID 20040039
1-(3-Hydroxycyclobutyl)-2,6-dimethylpyridin-4-one
CID 79885171
1-(2,3-Dihydroxypropyl)-2,6-dimethylpyridin-4-one
CID 79885401

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroxybutyl)-2-methylpyridin-4-one?
The IUPAC name of 1-(3,4-dihydroxybutyl)-2-methylpyridin-4-one (CID 67805890) is 1-(3,4-dihydroxybutyl)-2-methylpyridin-4-one.
What is the SMILES notation for 1-(3,4-dihydroxybutyl)-2-methylpyridin-4-one?
The canonical SMILES for 1-(3,4-dihydroxybutyl)-2-methylpyridin-4-one is Cc1cc(=O)ccn1CCC(O)CO.
What is the InChIKey of 1-(3,4-dihydroxybutyl)-2-methylpyridin-4-one?
The InChIKey is ZKCAAMZQJQNKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-8-6-9(13)2-4-11(8)5-3-10(14)7-12/h2,4,6,10,12,14H,3,5,7H2,1H3.
What are the key properties of 1-(3,4-dihydroxybutyl)-2-methylpyridin-4-one?
1-(3,4-dihydroxybutyl)-2-methylpyridin-4-one has a molecular weight of 197.23 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydroxybutyl)-2-methylpyridin-4-one is sourced from PubChem (CID 67805890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).