2-(4-oxochromen-2-yl)-1H-pyridin-4-one

C14H9NO3 — CID 123755587

IUPAC2-(4-oxochromen-2-yl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2cc(=O)c3ccccc3o2)c1
InChIInChI=1S/C14H9NO3/c16-9-5-6-15-11(7-9)14-8-12(17)10-3-1-2-4-13(10)18-14/h1-8H,(H,15,16)
InChIKeyAXFYUYMYIYLQMR-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.15
Rot. Bonds1

About 2-(4-oxochromen-2-yl)-1H-pyridin-4-one

2-(4-oxochromen-2-yl)-1H-pyridin-4-one (PubChem CID 123755587) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(4-oxochromen-2-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(4-oxochromen-2-yl)-1H-pyridin-4-one
PubChem CID123755587
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name2-(4-oxochromen-2-yl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(-c2cc(=O)c3ccccc3o2)c1
InChIInChI=1S/C14H9NO3/c16-9-5-6-15-11(7-9)14-8-12(17)10-3-1-2-4-13(10)18-14/h1-8H,(H,15,16)
InChIKeyAXFYUYMYIYLQMR-UHFFFAOYSA-N
XLogP2.15
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(3-hydroxy-2-pyridinyl)chromen-4-one
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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxochromen-2-yl)-1H-pyridin-4-one?
The IUPAC name of 2-(4-oxochromen-2-yl)-1H-pyridin-4-one (CID 123755587) is 2-(4-oxochromen-2-yl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(4-oxochromen-2-yl)-1H-pyridin-4-one?
The canonical SMILES for 2-(4-oxochromen-2-yl)-1H-pyridin-4-one is O=c1cc[nH]c(-c2cc(=O)c3ccccc3o2)c1.
What is the InChIKey of 2-(4-oxochromen-2-yl)-1H-pyridin-4-one?
The InChIKey is AXFYUYMYIYLQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c16-9-5-6-15-11(7-9)14-8-12(17)10-3-1-2-4-13(10)18-14/h1-8H,(H,15,16).
What are the key properties of 2-(4-oxochromen-2-yl)-1H-pyridin-4-one?
2-(4-oxochromen-2-yl)-1H-pyridin-4-one has a molecular weight of 239.23 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxochromen-2-yl)-1H-pyridin-4-one is sourced from PubChem (CID 123755587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).