6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)chromen-2-one

C17H13NO4 — CID 121389333

IUPAC6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)chromen-2-one
SMILESO=c1ccc2cc(-c3cncc4c3COCC4O)ccc2o1
InChIInChI=1S/C17H13NO4/c19-15-9-21-8-14-12(6-18-7-13(14)15)10-1-3-16-11(5-10)2-4-17(20)22-16/h1-7,15,19H,8-9H2
InChIKeyOQVLRENQTYZUSB-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.42
Rot. Bonds1

About 6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)chromen-2-one

6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)chromen-2-one (PubChem CID 121389333) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)chromen-2-one.

Molecular Properties

Compound Name6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)chromen-2-one
PubChem CID121389333
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)chromen-2-one
SMILESO=c1ccc2cc(-c3cncc4c3COCC4O)ccc2o1
InChIInChI=1S/C17H13NO4/c19-15-9-21-8-14-12(6-18-7-13(14)15)10-1-3-16-11(5-10)2-4-17(20)22-16/h1-7,15,19H,8-9H2
InChIKeyOQVLRENQTYZUSB-UHFFFAOYSA-N
XLogP2.42
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)chromen-2-one?
The IUPAC name of 6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)chromen-2-one (CID 121389333) is 6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)chromen-2-one.
What is the SMILES notation for 6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)chromen-2-one?
The canonical SMILES for 6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)chromen-2-one is O=c1ccc2cc(-c3cncc4c3COCC4O)ccc2o1.
What is the InChIKey of 6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)chromen-2-one?
The InChIKey is OQVLRENQTYZUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c19-15-9-21-8-14-12(6-18-7-13(14)15)10-1-3-16-11(5-10)2-4-17(20)22-16/h1-7,15,19H,8-9H2.
What are the key properties of 6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)chromen-2-one?
6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)chromen-2-one has a molecular weight of 295.29 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)chromen-2-one is sourced from PubChem (CID 121389333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).