2-(3-hydroxy-2-pyridinyl)chromen-4-one

C14H9NO3 — CID 123987973

IUPAC2-(3-hydroxy-2-pyridinyl)chromen-4-one
SMILESO=c1cc(-c2ncccc2O)oc2ccccc12
InChIInChI=1S/C14H9NO3/c16-10-5-3-7-15-14(10)13-8-11(17)9-4-1-2-6-12(9)18-13/h1-8,16H
InChIKeyBMPYTBFTUDARHL-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.56
Rot. Bonds1

About 2-(3-hydroxy-2-pyridinyl)chromen-4-one

2-(3-hydroxy-2-pyridinyl)chromen-4-one (PubChem CID 123987973) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(3-hydroxy-2-pyridinyl)chromen-4-one.

Molecular Properties

Compound Name2-(3-hydroxy-2-pyridinyl)chromen-4-one
PubChem CID123987973
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name2-(3-hydroxy-2-pyridinyl)chromen-4-one
SMILESO=c1cc(-c2ncccc2O)oc2ccccc12
InChIInChI=1S/C14H9NO3/c16-10-5-3-7-15-14(10)13-8-11(17)9-4-1-2-6-12(9)18-13/h1-8,16H
InChIKeyBMPYTBFTUDARHL-UHFFFAOYSA-N
XLogP2.56
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-pyridinyl)chromen-4-one?
The IUPAC name of 2-(3-hydroxy-2-pyridinyl)chromen-4-one (CID 123987973) is 2-(3-hydroxy-2-pyridinyl)chromen-4-one.
What is the SMILES notation for 2-(3-hydroxy-2-pyridinyl)chromen-4-one?
The canonical SMILES for 2-(3-hydroxy-2-pyridinyl)chromen-4-one is O=c1cc(-c2ncccc2O)oc2ccccc12.
What is the InChIKey of 2-(3-hydroxy-2-pyridinyl)chromen-4-one?
The InChIKey is BMPYTBFTUDARHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c16-10-5-3-7-15-14(10)13-8-11(17)9-4-1-2-6-12(9)18-13/h1-8,16H.
What are the key properties of 2-(3-hydroxy-2-pyridinyl)chromen-4-one?
2-(3-hydroxy-2-pyridinyl)chromen-4-one has a molecular weight of 239.23 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-pyridinyl)chromen-4-one is sourced from PubChem (CID 123987973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).