3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one

C7H9NO3 — CID 140976775

IUPAC3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one
SMILESO=c1ccn(CCO)cc1O
InChIInChI=1S/C7H9NO3/c9-4-3-8-2-1-6(10)7(11)5-8/h1-2,5,9,11H,3-4H2
InChIKeyLGHJAIHYTRLGED-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.45
Rot. Bonds2

About 3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one

3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one (PubChem CID 140976775) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one
PubChem CID140976775
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one
SMILESO=c1ccn(CCO)cc1O
InChIInChI=1S/C7H9NO3/c9-4-3-8-2-1-6(10)7(11)5-8/h1-2,5,9,11H,3-4H2
InChIKeyLGHJAIHYTRLGED-UHFFFAOYSA-N
XLogP-0.45
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one (CID 140976775) is 3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one is O=c1ccn(CCO)cc1O.
What is the InChIKey of 3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one?
The InChIKey is LGHJAIHYTRLGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c9-4-3-8-2-1-6(10)7(11)5-8/h1-2,5,9,11H,3-4H2.
What are the key properties of 3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one?
3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one has a molecular weight of 155.15 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one is sourced from PubChem (CID 140976775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).