3-(5-hydroxy-3-pyridinyl)oxan-4-one

C10H11NO3 — CID 172993012

IUPAC3-(5-hydroxy-3-pyridinyl)oxan-4-one
SMILESO=C1CCOCC1c1cncc(O)c1
InChIInChI=1S/C10H11NO3/c12-8-3-7(4-11-5-8)9-6-14-2-1-10(9)13/h3-5,9,12H,1-2,6H2
InChIKeyADRCKYMUCDNEPS-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.86
Rot. Bonds1

About 3-(5-hydroxy-3-pyridinyl)oxan-4-one

3-(5-hydroxy-3-pyridinyl)oxan-4-one (PubChem CID 172993012) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 3-(5-hydroxy-3-pyridinyl)oxan-4-one.

Molecular Properties

Compound Name3-(5-hydroxy-3-pyridinyl)oxan-4-one
PubChem CID172993012
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name3-(5-hydroxy-3-pyridinyl)oxan-4-one
SMILESO=C1CCOCC1c1cncc(O)c1
InChIInChI=1S/C10H11NO3/c12-8-3-7(4-11-5-8)9-6-14-2-1-10(9)13/h3-5,9,12H,1-2,6H2
InChIKeyADRCKYMUCDNEPS-UHFFFAOYSA-N
XLogP0.86
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-3-pyridinyl)oxan-4-one?
The IUPAC name of 3-(5-hydroxy-3-pyridinyl)oxan-4-one (CID 172993012) is 3-(5-hydroxy-3-pyridinyl)oxan-4-one.
What is the SMILES notation for 3-(5-hydroxy-3-pyridinyl)oxan-4-one?
The canonical SMILES for 3-(5-hydroxy-3-pyridinyl)oxan-4-one is O=C1CCOCC1c1cncc(O)c1.
What is the InChIKey of 3-(5-hydroxy-3-pyridinyl)oxan-4-one?
The InChIKey is ADRCKYMUCDNEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-8-3-7(4-11-5-8)9-6-14-2-1-10(9)13/h3-5,9,12H,1-2,6H2.
What are the key properties of 3-(5-hydroxy-3-pyridinyl)oxan-4-one?
3-(5-hydroxy-3-pyridinyl)oxan-4-one has a molecular weight of 193.20 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-3-pyridinyl)oxan-4-one is sourced from PubChem (CID 172993012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).