7-hydroxy-3-pyridin-2-ylchromen-2-one

C14H9NO3 — CID 135657544

IUPAC7-hydroxy-3-pyridin-2-ylchromen-2-one
SMILESO=c1oc2cc(O)ccc2cc1-c1ccccn1
InChIInChI=1S/C14H9NO3/c16-10-5-4-9-7-11(12-3-1-2-6-15-12)14(17)18-13(9)8-10/h1-8,16H
InChIKeyUEPYLHAXHCZLCA-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.56
Rot. Bonds1

About 7-hydroxy-3-pyridin-2-ylchromen-2-one

7-hydroxy-3-pyridin-2-ylchromen-2-one (PubChem CID 135657544) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 7-hydroxy-3-pyridin-2-ylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3-pyridin-2-ylchromen-2-one
PubChem CID135657544
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name7-hydroxy-3-pyridin-2-ylchromen-2-one
SMILESO=c1oc2cc(O)ccc2cc1-c1ccccn1
InChIInChI=1S/C14H9NO3/c16-10-5-4-9-7-11(12-3-1-2-6-15-12)14(17)18-13(9)8-10/h1-8,16H
InChIKeyUEPYLHAXHCZLCA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-pyridin-2-ylchromen-2-one?
The IUPAC name of 7-hydroxy-3-pyridin-2-ylchromen-2-one (CID 135657544) is 7-hydroxy-3-pyridin-2-ylchromen-2-one.
What is the SMILES notation for 7-hydroxy-3-pyridin-2-ylchromen-2-one?
The canonical SMILES for 7-hydroxy-3-pyridin-2-ylchromen-2-one is O=c1oc2cc(O)ccc2cc1-c1ccccn1.
What is the InChIKey of 7-hydroxy-3-pyridin-2-ylchromen-2-one?
The InChIKey is UEPYLHAXHCZLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c16-10-5-4-9-7-11(12-3-1-2-6-15-12)14(17)18-13(9)8-10/h1-8,16H.
What are the key properties of 7-hydroxy-3-pyridin-2-ylchromen-2-one?
7-hydroxy-3-pyridin-2-ylchromen-2-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 7-hydroxy-3-pyridin-2-ylchromen-2-one is sourced from PubChem (CID 135657544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).