1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]pyridin-2-one

C13H14N2O3 — CID 57260124

IUPAC1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]pyridin-2-one
SMILESO=c1ccccn1CC(O)Cn1ccccc1=O
InChIInChI=1S/C13H14N2O3/c16-11(9-14-7-3-1-5-12(14)17)10-15-8-4-2-6-13(15)18/h1-8,11,16H,9-10H2
InChIKeyAPTFPPODBJFAMO-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.07
Rot. Bonds4

About 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]pyridin-2-one

1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]pyridin-2-one (PubChem CID 57260124) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]pyridin-2-one
PubChem CID57260124
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]pyridin-2-one
SMILESO=c1ccccn1CC(O)Cn1ccccc1=O
InChIInChI=1S/C13H14N2O3/c16-11(9-14-7-3-1-5-12(14)17)10-15-8-4-2-6-13(15)18/h1-8,11,16H,9-10H2
InChIKeyAPTFPPODBJFAMO-UHFFFAOYSA-N
XLogP0.07
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]pyridin-2-one?
The IUPAC name of 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]pyridin-2-one (CID 57260124) is 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]pyridin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]pyridin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]pyridin-2-one is O=c1ccccn1CC(O)Cn1ccccc1=O.
What is the InChIKey of 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]pyridin-2-one?
The InChIKey is APTFPPODBJFAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-11(9-14-7-3-1-5-12(14)17)10-15-8-4-2-6-13(15)18/h1-8,11,16H,9-10H2.
What are the key properties of 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]pyridin-2-one?
1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]pyridin-2-one has a molecular weight of 246.27 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]pyridin-2-one is sourced from PubChem (CID 57260124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).