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

C10H15NO4 — CID 23378019

IUPAC3-hydroxy-2-(1-hydroxyethyl)-1-(3-hydroxypropyl)pyridin-4-one
SMILESCC(O)c1c(O)c(=O)ccn1CCCO
InChIInChI=1S/C10H15NO4/c1-7(13)9-10(15)8(14)3-5-11(9)4-2-6-12/h3,5,7,12-13,15H,2,4,6H2,1H3
InChIKeyFSRGITLHIAOWLH-UHFFFAOYSA-N
MW213.23 g/mol
LogP-0.01
Rot. Bonds4

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

3-hydroxy-2-(1-hydroxyethyl)-1-(3-hydroxypropyl)pyridin-4-one (PubChem CID 23378019) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-hydroxy-2-(1-hydroxyethyl)-1-(3-hydroxypropyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(1-hydroxyethyl)-1-(3-hydroxypropyl)pyridin-4-one
PubChem CID23378019
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-hydroxy-2-(1-hydroxyethyl)-1-(3-hydroxypropyl)pyridin-4-one
SMILESCC(O)c1c(O)c(=O)ccn1CCCO
InChIInChI=1S/C10H15NO4/c1-7(13)9-10(15)8(14)3-5-11(9)4-2-6-12/h3,5,7,12-13,15H,2,4,6H2,1H3
InChIKeyFSRGITLHIAOWLH-UHFFFAOYSA-N
XLogP-0.01
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(1-hydroxyethyl)-1-(3-hydroxypropyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-2-(1-hydroxyethyl)-1-(3-hydroxypropyl)pyridin-4-one (CID 23378019) is 3-hydroxy-2-(1-hydroxyethyl)-1-(3-hydroxypropyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-(1-hydroxyethyl)-1-(3-hydroxypropyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-2-(1-hydroxyethyl)-1-(3-hydroxypropyl)pyridin-4-one is CC(O)c1c(O)c(=O)ccn1CCCO.
What is the InChIKey of 3-hydroxy-2-(1-hydroxyethyl)-1-(3-hydroxypropyl)pyridin-4-one?
The InChIKey is FSRGITLHIAOWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-7(13)9-10(15)8(14)3-5-11(9)4-2-6-12/h3,5,7,12-13,15H,2,4,6H2,1H3.
What are the key properties of 3-hydroxy-2-(1-hydroxyethyl)-1-(3-hydroxypropyl)pyridin-4-one?
3-hydroxy-2-(1-hydroxyethyl)-1-(3-hydroxypropyl)pyridin-4-one has a molecular weight of 213.23 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(1-hydroxyethyl)-1-(3-hydroxypropyl)pyridin-4-one is sourced from PubChem (CID 23378019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).