1-(2,3-dihydroxypropyl)pyridin-2-one

C8H11NO3 — CID 54381053

IUPAC1-(2,3-dihydroxypropyl)pyridin-2-one
SMILESO=c1ccccn1CC(O)CO
InChIInChI=1S/C8H11NO3/c10-6-7(11)5-9-4-2-1-3-8(9)12/h1-4,7,10-11H,5-6H2
InChIKeyUZXLXIFZLGEJTO-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.80
Rot. Bonds3

About 1-(2,3-dihydroxypropyl)pyridin-2-one

1-(2,3-dihydroxypropyl)pyridin-2-one (PubChem CID 54381053) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)pyridin-2-one
PubChem CID54381053
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name1-(2,3-dihydroxypropyl)pyridin-2-one
SMILESO=c1ccccn1CC(O)CO
InChIInChI=1S/C8H11NO3/c10-6-7(11)5-9-4-2-1-3-8(9)12/h1-4,7,10-11H,5-6H2
InChIKeyUZXLXIFZLGEJTO-UHFFFAOYSA-N
XLogP-0.80
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)pyridin-2-one?
The IUPAC name of 1-(2,3-dihydroxypropyl)pyridin-2-one (CID 54381053) is 1-(2,3-dihydroxypropyl)pyridin-2-one.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)pyridin-2-one?
The canonical SMILES for 1-(2,3-dihydroxypropyl)pyridin-2-one is O=c1ccccn1CC(O)CO.
What is the InChIKey of 1-(2,3-dihydroxypropyl)pyridin-2-one?
The InChIKey is UZXLXIFZLGEJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-6-7(11)5-9-4-2-1-3-8(9)12/h1-4,7,10-11H,5-6H2.
What are the key properties of 1-(2,3-dihydroxypropyl)pyridin-2-one?
1-(2,3-dihydroxypropyl)pyridin-2-one has a molecular weight of 169.18 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)pyridin-2-one is sourced from PubChem (CID 54381053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).