3-acetyl-8-hydroxy-2-methylchromeno[2,3-b]pyridin-5-one

C15H11NO4 — CID 24975652

IUPAC3-acetyl-8-hydroxy-2-methylchromeno[2,3-b]pyridin-5-one
SMILESCC(=O)c1cc2c(=O)c3ccc(O)cc3oc2nc1C
InChIInChI=1S/C15H11NO4/c1-7-11(8(2)17)6-12-14(19)10-4-3-9(18)5-13(10)20-15(12)16-7/h3-6,18H,1-2H3
InChIKeyQCQPVRGFCRGYTA-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.56
Rot. Bonds1

About 3-acetyl-8-hydroxy-2-methylchromeno[2,3-b]pyridin-5-one

3-acetyl-8-hydroxy-2-methylchromeno[2,3-b]pyridin-5-one (PubChem CID 24975652) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-acetyl-8-hydroxy-2-methylchromeno[2,3-b]pyridin-5-one.

Molecular Properties

Compound Name3-acetyl-8-hydroxy-2-methylchromeno[2,3-b]pyridin-5-one
PubChem CID24975652
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name3-acetyl-8-hydroxy-2-methylchromeno[2,3-b]pyridin-5-one
SMILESCC(=O)c1cc2c(=O)c3ccc(O)cc3oc2nc1C
InChIInChI=1S/C15H11NO4/c1-7-11(8(2)17)6-12-14(19)10-4-3-9(18)5-13(10)20-15(12)16-7/h3-6,18H,1-2H3
InChIKeyQCQPVRGFCRGYTA-UHFFFAOYSA-N
XLogP2.56
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-8-hydroxy-2-methylchromeno[2,3-b]pyridin-5-one?
The IUPAC name of 3-acetyl-8-hydroxy-2-methylchromeno[2,3-b]pyridin-5-one (CID 24975652) is 3-acetyl-8-hydroxy-2-methylchromeno[2,3-b]pyridin-5-one.
What is the SMILES notation for 3-acetyl-8-hydroxy-2-methylchromeno[2,3-b]pyridin-5-one?
The canonical SMILES for 3-acetyl-8-hydroxy-2-methylchromeno[2,3-b]pyridin-5-one is CC(=O)c1cc2c(=O)c3ccc(O)cc3oc2nc1C.
What is the InChIKey of 3-acetyl-8-hydroxy-2-methylchromeno[2,3-b]pyridin-5-one?
The InChIKey is QCQPVRGFCRGYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-7-11(8(2)17)6-12-14(19)10-4-3-9(18)5-13(10)20-15(12)16-7/h3-6,18H,1-2H3.
What are the key properties of 3-acetyl-8-hydroxy-2-methylchromeno[2,3-b]pyridin-5-one?
3-acetyl-8-hydroxy-2-methylchromeno[2,3-b]pyridin-5-one has a molecular weight of 269.26 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-8-hydroxy-2-methylchromeno[2,3-b]pyridin-5-one is sourced from PubChem (CID 24975652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).