3-hydroxy-2-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one

C9H13NO4 — CID 18428307

IUPAC3-hydroxy-2-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one
SMILESO=c1ccn(CCCO)c(CO)c1O
InChIInChI=1S/C9H13NO4/c11-5-1-3-10-4-2-8(13)9(14)7(10)6-12/h2,4,11-12,14H,1,3,5-6H2
InChIKeyRHCDTUHYWLSHGQ-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.57
Rot. Bonds4

About 3-hydroxy-2-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one

3-hydroxy-2-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one (PubChem CID 18428307) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-hydroxy-2-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one
PubChem CID18428307
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name3-hydroxy-2-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one
SMILESO=c1ccn(CCCO)c(CO)c1O
InChIInChI=1S/C9H13NO4/c11-5-1-3-10-4-2-8(13)9(14)7(10)6-12/h2,4,11-12,14H,1,3,5-6H2
InChIKeyRHCDTUHYWLSHGQ-UHFFFAOYSA-N
XLogP-0.57
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-2-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-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

3-Hydroxy-1-(2-methoxyethyl)-2-methyl-4(1H)-pyridinone
CID 86345
4(1H)-Pyridinone, 2-ethyl-3-hydroxy-1-(2-methoxyethyl)-
CID 86380
3-Hydroxy-1-(2-hydroxyethyl)-2-methyl-4(1H)-pyridinone
CID 94414
CP 102
CID 86379
5-Hydroxy-2-hydroxymethyl-1-methylpyrid-4-one
CID 129682
CP 41
CID 93513
1-Ethyl-2-(1-hydroxyethyl)-3-hydroxypyridin-4-one
CID 126465
4-Pyridone,3-hydroxy-2-ethyl-1-(3-hydroxy)propyl
CID 10058531
1-glyceryl-2-methyl-3-hydroxypyridine-4(1H)-one
CID 10488217
1-(1,3-Dihydroxypropan-2-yl)-3-hydroxy-2-methylpyridin-4-one
CID 10798050
3-Hydroxy-2-(hydroxymethyl)-1,6-dimethylpyridin-4-one
CID 18428303
2FF8Dpg57Y
CID 18428306

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-2-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one (CID 18428307) is 3-hydroxy-2-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-2-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one is O=c1ccn(CCCO)c(CO)c1O.
What is the InChIKey of 3-hydroxy-2-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one?
The InChIKey is RHCDTUHYWLSHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c11-5-1-3-10-4-2-8(13)9(14)7(10)6-12/h2,4,11-12,14H,1,3,5-6H2.
What are the key properties of 3-hydroxy-2-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one?
3-hydroxy-2-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one has a molecular weight of 199.21 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one is sourced from PubChem (CID 18428307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).