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

C8H11NO3 — CID 18941617

IUPAC1-ethyl-3-hydroxy-2-(hydroxymethyl)pyridin-4-one
SMILESCCn1ccc(=O)c(O)c1CO
InChIInChI=1S/C8H11NO3/c1-2-9-4-3-7(11)8(12)6(9)5-10/h3-4,10,12H,2,5H2,1H3
InChIKeyJRUNVRZSFCQMRU-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.07
Rot. Bonds2

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

1-ethyl-3-hydroxy-2-(hydroxymethyl)pyridin-4-one (PubChem CID 18941617) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-ethyl-3-hydroxy-2-(hydroxymethyl)pyridin-4-one.

Molecular Properties

Compound Name1-ethyl-3-hydroxy-2-(hydroxymethyl)pyridin-4-one
PubChem CID18941617
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name1-ethyl-3-hydroxy-2-(hydroxymethyl)pyridin-4-one
SMILESCCn1ccc(=O)c(O)c1CO
InChIInChI=1S/C8H11NO3/c1-2-9-4-3-7(11)8(12)6(9)5-10/h3-4,10,12H,2,5H2,1H3
InChIKeyJRUNVRZSFCQMRU-UHFFFAOYSA-N
XLogP0.07
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-hydroxy-2-(hydroxymethyl)pyridin-4-one?
The IUPAC name of 1-ethyl-3-hydroxy-2-(hydroxymethyl)pyridin-4-one (CID 18941617) is 1-ethyl-3-hydroxy-2-(hydroxymethyl)pyridin-4-one.
What is the SMILES notation for 1-ethyl-3-hydroxy-2-(hydroxymethyl)pyridin-4-one?
The canonical SMILES for 1-ethyl-3-hydroxy-2-(hydroxymethyl)pyridin-4-one is CCn1ccc(=O)c(O)c1CO.
What is the InChIKey of 1-ethyl-3-hydroxy-2-(hydroxymethyl)pyridin-4-one?
The InChIKey is JRUNVRZSFCQMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-9-4-3-7(11)8(12)6(9)5-10/h3-4,10,12H,2,5H2,1H3.
What are the key properties of 1-ethyl-3-hydroxy-2-(hydroxymethyl)pyridin-4-one?
1-ethyl-3-hydroxy-2-(hydroxymethyl)pyridin-4-one has a molecular weight of 169.18 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-hydroxy-2-(hydroxymethyl)pyridin-4-one is sourced from PubChem (CID 18941617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).