5-hydroxy-6-(hydroxymethyl)-3H-pyridin-4-one

C6H7NO3 — CID 67655396

IUPAC5-hydroxy-6-(hydroxymethyl)-3H-pyridin-4-one
SMILESO=C1CC=NC(CO)=C1O
InChIInChI=1S/C6H7NO3/c8-3-4-6(10)5(9)1-2-7-4/h2,8,10H,1,3H2
InChIKeyMVAIMCZMXMQYGJ-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.21
Rot. Bonds1

About 5-hydroxy-6-(hydroxymethyl)-3H-pyridin-4-one

5-hydroxy-6-(hydroxymethyl)-3H-pyridin-4-one (PubChem CID 67655396) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 5-hydroxy-6-(hydroxymethyl)-3H-pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-6-(hydroxymethyl)-3H-pyridin-4-one
PubChem CID67655396
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name5-hydroxy-6-(hydroxymethyl)-3H-pyridin-4-one
SMILESO=C1CC=NC(CO)=C1O
InChIInChI=1S/C6H7NO3/c8-3-4-6(10)5(9)1-2-7-4/h2,8,10H,1,3H2
InChIKeyMVAIMCZMXMQYGJ-UHFFFAOYSA-N
XLogP-0.21
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-hydroxy-6-(hydroxymethyl)-3H-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

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-(hydroxymethyl)-3H-pyridin-4-one?
The IUPAC name of 5-hydroxy-6-(hydroxymethyl)-3H-pyridin-4-one (CID 67655396) is 5-hydroxy-6-(hydroxymethyl)-3H-pyridin-4-one.
What is the SMILES notation for 5-hydroxy-6-(hydroxymethyl)-3H-pyridin-4-one?
The canonical SMILES for 5-hydroxy-6-(hydroxymethyl)-3H-pyridin-4-one is O=C1CC=NC(CO)=C1O.
What is the InChIKey of 5-hydroxy-6-(hydroxymethyl)-3H-pyridin-4-one?
The InChIKey is MVAIMCZMXMQYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c8-3-4-6(10)5(9)1-2-7-4/h2,8,10H,1,3H2.
What are the key properties of 5-hydroxy-6-(hydroxymethyl)-3H-pyridin-4-one?
5-hydroxy-6-(hydroxymethyl)-3H-pyridin-4-one has a molecular weight of 141.13 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-(hydroxymethyl)-3H-pyridin-4-one is sourced from PubChem (CID 67655396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).