3-hydroxy-1-(2-hydroxyethoxymethyl)-2-methylpyridin-4-one

C9H13NO4 — CID 10821844

IUPAC3-hydroxy-1-(2-hydroxyethoxymethyl)-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1COCCO
InChIInChI=1S/C9H13NO4/c1-7-9(13)8(12)2-3-10(7)6-14-5-4-11/h2-3,11,13H,4-6H2,1H3
InChIKeyZEFZJILGXVDMFN-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.17
Rot. Bonds4

About 3-hydroxy-1-(2-hydroxyethoxymethyl)-2-methylpyridin-4-one

3-hydroxy-1-(2-hydroxyethoxymethyl)-2-methylpyridin-4-one (PubChem CID 10821844) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-hydroxy-1-(2-hydroxyethoxymethyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-(2-hydroxyethoxymethyl)-2-methylpyridin-4-one
PubChem CID10821844
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name3-hydroxy-1-(2-hydroxyethoxymethyl)-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1COCCO
InChIInChI=1S/C9H13NO4/c1-7-9(13)8(12)2-3-10(7)6-14-5-4-11/h2-3,11,13H,4-6H2,1H3
InChIKeyZEFZJILGXVDMFN-UHFFFAOYSA-N
XLogP-0.17
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.17
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 3-hydroxy-1-(2-hydroxyethoxymethyl)-2-methylpyridin-4-one?
The IUPAC name of 3-hydroxy-1-(2-hydroxyethoxymethyl)-2-methylpyridin-4-one (CID 10821844) is 3-hydroxy-1-(2-hydroxyethoxymethyl)-2-methylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-(2-hydroxyethoxymethyl)-2-methylpyridin-4-one?
The canonical SMILES for 3-hydroxy-1-(2-hydroxyethoxymethyl)-2-methylpyridin-4-one is Cc1c(O)c(=O)ccn1COCCO.
What is the InChIKey of 3-hydroxy-1-(2-hydroxyethoxymethyl)-2-methylpyridin-4-one?
The InChIKey is ZEFZJILGXVDMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-7-9(13)8(12)2-3-10(7)6-14-5-4-11/h2-3,11,13H,4-6H2,1H3.
What are the key properties of 3-hydroxy-1-(2-hydroxyethoxymethyl)-2-methylpyridin-4-one?
3-hydroxy-1-(2-hydroxyethoxymethyl)-2-methylpyridin-4-one has a molecular weight of 199.21 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-hydroxyethoxymethyl)-2-methylpyridin-4-one is sourced from PubChem (CID 10821844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).