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

C10H15NO4 — CID 10512754

IUPAC2-ethyl-3-hydroxy-1-(2-hydroxyethoxymethyl)pyridin-4-one
SMILESCCc1c(O)c(=O)ccn1COCCO
InChIInChI=1S/C10H15NO4/c1-2-8-10(14)9(13)3-4-11(8)7-15-6-5-12/h3-4,12,14H,2,5-7H2,1H3
InChIKeyCWIFOTYPMXTVNK-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.08
Rot. Bonds5

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

2-ethyl-3-hydroxy-1-(2-hydroxyethoxymethyl)pyridin-4-one (PubChem CID 10512754) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-1-(2-hydroxyethoxymethyl)pyridin-4-one.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-1-(2-hydroxyethoxymethyl)pyridin-4-one
PubChem CID10512754
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-ethyl-3-hydroxy-1-(2-hydroxyethoxymethyl)pyridin-4-one
SMILESCCc1c(O)c(=O)ccn1COCCO
InChIInChI=1S/C10H15NO4/c1-2-8-10(14)9(13)3-4-11(8)7-15-6-5-12/h3-4,12,14H,2,5-7H2,1H3
InChIKeyCWIFOTYPMXTVNK-UHFFFAOYSA-N
XLogP0.08
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxy-1-(2-hydroxyethoxymethyl)pyridin-4-one?
The IUPAC name of 2-ethyl-3-hydroxy-1-(2-hydroxyethoxymethyl)pyridin-4-one (CID 10512754) is 2-ethyl-3-hydroxy-1-(2-hydroxyethoxymethyl)pyridin-4-one.
What is the SMILES notation for 2-ethyl-3-hydroxy-1-(2-hydroxyethoxymethyl)pyridin-4-one?
The canonical SMILES for 2-ethyl-3-hydroxy-1-(2-hydroxyethoxymethyl)pyridin-4-one is CCc1c(O)c(=O)ccn1COCCO.
What is the InChIKey of 2-ethyl-3-hydroxy-1-(2-hydroxyethoxymethyl)pyridin-4-one?
The InChIKey is CWIFOTYPMXTVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-2-8-10(14)9(13)3-4-11(8)7-15-6-5-12/h3-4,12,14H,2,5-7H2,1H3.
What are the key properties of 2-ethyl-3-hydroxy-1-(2-hydroxyethoxymethyl)pyridin-4-one?
2-ethyl-3-hydroxy-1-(2-hydroxyethoxymethyl)pyridin-4-one has a molecular weight of 213.23 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxy-1-(2-hydroxyethoxymethyl)pyridin-4-one is sourced from PubChem (CID 10512754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).