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

C7H9NO2 — CID 22624935

IUPAC1-(2-hydroxyethyl)pyridin-4-one
SMILESO=c1ccn(CCO)cc1
InChIInChI=1S/C7H9NO2/c9-6-5-8-3-1-7(10)2-4-8/h1-4,9H,5-6H2
InChIKeyGEYGQGNEYQUCMB-UHFFFAOYSA-N
MW139.15 g/mol
LogP-0.16
Rot. Bonds2

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

1-(2-hydroxyethyl)pyridin-4-one (PubChem CID 22624935) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)pyridin-4-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)pyridin-4-one
PubChem CID22624935
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name1-(2-hydroxyethyl)pyridin-4-one
SMILESO=c1ccn(CCO)cc1
InChIInChI=1S/C7H9NO2/c9-6-5-8-3-1-7(10)2-4-8/h1-4,9H,5-6H2
InChIKeyGEYGQGNEYQUCMB-UHFFFAOYSA-N
XLogP-0.16
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-4-[bis(2-hydroxyethyl)amino]-1,1,1-trifluorobut-3-en-2-one
CID 21581667
1-(2,2,2-Trifluoro-1-hydroxyethyl)pyridin-4-one
CID 154512742
1-(3-Fluoro-2-hydroxypropyl)-1,4-dihydropyridin-4-one
CID 165597488
1-(3-Hydroxypropyl)-1,4-dihydro-4-pyridone
CID 22624886
(E)-4-[bis(2-hydroxyethyl)amino]but-3-en-2-one
CID 23523949
CID 59090937
CID 59090937
CID 59090940
CID 59090940
1-(2-Hydroxyprop-2-enyl)pyridin-4-one
CID 70002274
1-(2-Hydroxyethyl)-2-iodopyridin-4-one
CID 70208393
4-[Bis(2-hydroxyethyl)amino]but-3-en-2-one
CID 74059039
1-(Hydroxymethyl)pyridin-4-one
CID 130028073
3-Hydroxy-1-(2-hydroxyethyl)pyridin-4-one
CID 140976775

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)pyridin-4-one?
The IUPAC name of 1-(2-hydroxyethyl)pyridin-4-one (CID 22624935) is 1-(2-hydroxyethyl)pyridin-4-one.
What is the SMILES notation for 1-(2-hydroxyethyl)pyridin-4-one?
The canonical SMILES for 1-(2-hydroxyethyl)pyridin-4-one is O=c1ccn(CCO)cc1.
What is the InChIKey of 1-(2-hydroxyethyl)pyridin-4-one?
The InChIKey is GEYGQGNEYQUCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c9-6-5-8-3-1-7(10)2-4-8/h1-4,9H,5-6H2.
What are the key properties of 1-(2-hydroxyethyl)pyridin-4-one?
1-(2-hydroxyethyl)pyridin-4-one has a molecular weight of 139.15 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)pyridin-4-one is sourced from PubChem (CID 22624935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).