1-(2,3-dihydroxypropyl)-2-ethyl-3-hydroxypyridin-4-one

C10H15NO4 — CID 20688190

IUPAC1-(2,3-dihydroxypropyl)-2-ethyl-3-hydroxypyridin-4-one
SMILESCCc1c(O)c(=O)ccn1CC(O)CO
InChIInChI=1S/C10H15NO4/c1-2-8-10(15)9(14)3-4-11(8)5-7(13)6-12/h3-4,7,12-13,15H,2,5-6H2,1H3
InChIKeyVFWUCRAAGFSCFV-UHFFFAOYSA-N
MW213.23 g/mol
LogP-0.53
Rot. Bonds4

About 1-(2,3-dihydroxypropyl)-2-ethyl-3-hydroxypyridin-4-one

1-(2,3-dihydroxypropyl)-2-ethyl-3-hydroxypyridin-4-one (PubChem CID 20688190) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-2-ethyl-3-hydroxypyridin-4-one.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)-2-ethyl-3-hydroxypyridin-4-one
PubChem CID20688190
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-(2,3-dihydroxypropyl)-2-ethyl-3-hydroxypyridin-4-one
SMILESCCc1c(O)c(=O)ccn1CC(O)CO
InChIInChI=1S/C10H15NO4/c1-2-8-10(15)9(14)3-4-11(8)5-7(13)6-12/h3-4,7,12-13,15H,2,5-6H2,1H3
InChIKeyVFWUCRAAGFSCFV-UHFFFAOYSA-N
XLogP-0.53
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 ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)-2-ethyl-3-hydroxypyridin-4-one?
The IUPAC name of 1-(2,3-dihydroxypropyl)-2-ethyl-3-hydroxypyridin-4-one (CID 20688190) is 1-(2,3-dihydroxypropyl)-2-ethyl-3-hydroxypyridin-4-one.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)-2-ethyl-3-hydroxypyridin-4-one?
The canonical SMILES for 1-(2,3-dihydroxypropyl)-2-ethyl-3-hydroxypyridin-4-one is CCc1c(O)c(=O)ccn1CC(O)CO.
What is the InChIKey of 1-(2,3-dihydroxypropyl)-2-ethyl-3-hydroxypyridin-4-one?
The InChIKey is VFWUCRAAGFSCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-2-8-10(15)9(14)3-4-11(8)5-7(13)6-12/h3-4,7,12-13,15H,2,5-6H2,1H3.
What are the key properties of 1-(2,3-dihydroxypropyl)-2-ethyl-3-hydroxypyridin-4-one?
1-(2,3-dihydroxypropyl)-2-ethyl-3-hydroxypyridin-4-one has a molecular weight of 213.23 g/mol, XLogP of -0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)-2-ethyl-3-hydroxypyridin-4-one is sourced from PubChem (CID 20688190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).