3-acetyl-2,7-dimethylchromeno[2,3-b]pyridin-5-one

C16H13NO3 — CID 659276

IUPAC3-acetyl-2,7-dimethylchromeno[2,3-b]pyridin-5-one
SMILESCC(=O)c1cc2c(=O)c3cc(C)ccc3oc2nc1C
InChIInChI=1S/C16H13NO3/c1-8-4-5-14-12(6-8)15(19)13-7-11(10(3)18)9(2)17-16(13)20-14/h4-7H,1-3H3
InChIKeyXUDCPGKZAWCMIA-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.16
Rot. Bonds1

About 3-acetyl-2,7-dimethylchromeno[2,3-b]pyridin-5-one

3-acetyl-2,7-dimethylchromeno[2,3-b]pyridin-5-one (PubChem CID 659276) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-acetyl-2,7-dimethylchromeno[2,3-b]pyridin-5-one.

Molecular Properties

Compound Name3-acetyl-2,7-dimethylchromeno[2,3-b]pyridin-5-one
PubChem CID659276
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name3-acetyl-2,7-dimethylchromeno[2,3-b]pyridin-5-one
SMILESCC(=O)c1cc2c(=O)c3cc(C)ccc3oc2nc1C
InChIInChI=1S/C16H13NO3/c1-8-4-5-14-12(6-8)15(19)13-7-11(10(3)18)9(2)17-16(13)20-14/h4-7H,1-3H3
InChIKeyXUDCPGKZAWCMIA-UHFFFAOYSA-N
XLogP3.16
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-2,7-dimethylchromeno[2,3-b]pyridin-5-one?
The IUPAC name of 3-acetyl-2,7-dimethylchromeno[2,3-b]pyridin-5-one (CID 659276) is 3-acetyl-2,7-dimethylchromeno[2,3-b]pyridin-5-one.
What is the SMILES notation for 3-acetyl-2,7-dimethylchromeno[2,3-b]pyridin-5-one?
The canonical SMILES for 3-acetyl-2,7-dimethylchromeno[2,3-b]pyridin-5-one is CC(=O)c1cc2c(=O)c3cc(C)ccc3oc2nc1C.
What is the InChIKey of 3-acetyl-2,7-dimethylchromeno[2,3-b]pyridin-5-one?
The InChIKey is XUDCPGKZAWCMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-8-4-5-14-12(6-8)15(19)13-7-11(10(3)18)9(2)17-16(13)20-14/h4-7H,1-3H3.
What are the key properties of 3-acetyl-2,7-dimethylchromeno[2,3-b]pyridin-5-one?
3-acetyl-2,7-dimethylchromeno[2,3-b]pyridin-5-one has a molecular weight of 267.28 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2,7-dimethylchromeno[2,3-b]pyridin-5-one is sourced from PubChem (CID 659276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).