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

C8H11NO3 — CID 67920598

IUPAC3-(2,3-dihydroxypropyl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1CC(O)CO
InChIInChI=1S/C8H11NO3/c10-5-7(11)4-6-2-1-3-9-8(6)12/h1-3,7,10-11H,4-5H2,(H,9,12)
InChIKeyCQUSCZJAGQNUHZ-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.73
Rot. Bonds3

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

3-(2,3-dihydroxypropyl)-1H-pyridin-2-one (PubChem CID 67920598) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2,3-dihydroxypropyl)-1H-pyridin-2-one
PubChem CID67920598
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name3-(2,3-dihydroxypropyl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1CC(O)CO
InChIInChI=1S/C8H11NO3/c10-5-7(11)4-6-2-1-3-9-8(6)12/h1-3,7,10-11H,4-5H2,(H,9,12)
InChIKeyCQUSCZJAGQNUHZ-UHFFFAOYSA-N
XLogP-0.73
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropyl)-1H-pyridin-2-one?
The IUPAC name of 3-(2,3-dihydroxypropyl)-1H-pyridin-2-one (CID 67920598) is 3-(2,3-dihydroxypropyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2,3-dihydroxypropyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(2,3-dihydroxypropyl)-1H-pyridin-2-one is O=c1[nH]cccc1CC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropyl)-1H-pyridin-2-one?
The InChIKey is CQUSCZJAGQNUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-5-7(11)4-6-2-1-3-9-8(6)12/h1-3,7,10-11H,4-5H2,(H,9,12).
What are the key properties of 3-(2,3-dihydroxypropyl)-1H-pyridin-2-one?
3-(2,3-dihydroxypropyl)-1H-pyridin-2-one has a molecular weight of 169.18 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropyl)-1H-pyridin-2-one is sourced from PubChem (CID 67920598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).