7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-ethyl-2-methyl-3H-pyrano[2,3-b]pyridin-4-one

C23H19Cl2NO2 — CID 24996237

IUPAC7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-ethyl-2-methyl-3H-pyrano[2,3-b]pyridin-4-one
SMILESCCC1(C)CC(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1
InChIInChI=1S/C23H19Cl2NO2/c1-3-23(2)13-20(27)18-12-17(14-8-10-15(24)11-9-14)21(26-22(18)28-23)16-6-4-5-7-19(16)25/h4-12H,3,13H2,1-2H3
InChIKeyOYJIOLCISBUXOO-UHFFFAOYSA-N
MW412.32 g/mol
LogP6.86
Rot. Bonds3

About 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-ethyl-2-methyl-3H-pyrano[2,3-b]pyridin-4-one

7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-ethyl-2-methyl-3H-pyrano[2,3-b]pyridin-4-one (PubChem CID 24996237) has the molecular formula C23H19Cl2NO2 and a molecular weight of 412.32 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-ethyl-2-methyl-3H-pyrano[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-ethyl-2-methyl-3H-pyrano[2,3-b]pyridin-4-one
PubChem CID24996237
Molecular FormulaC23H19Cl2NO2
Molecular Weight412.32 g/mol
Exact Mass411.08
IUPAC Name7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-ethyl-2-methyl-3H-pyrano[2,3-b]pyridin-4-one
SMILESCCC1(C)CC(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1
InChIInChI=1S/C23H19Cl2NO2/c1-3-23(2)13-20(27)18-12-17(14-8-10-15(24)11-9-14)21(26-22(18)28-23)16-6-4-5-7-19(16)25/h4-12H,3,13H2,1-2H3
InChIKeyOYJIOLCISBUXOO-UHFFFAOYSA-N
XLogP6.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.32
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-ethyl-2-methyl-3H-pyrano[2,3-b]pyridin-4-one?
The IUPAC name of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-ethyl-2-methyl-3H-pyrano[2,3-b]pyridin-4-one (CID 24996237) is 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-ethyl-2-methyl-3H-pyrano[2,3-b]pyridin-4-one.
What is the SMILES notation for 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-ethyl-2-methyl-3H-pyrano[2,3-b]pyridin-4-one?
The canonical SMILES for 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-ethyl-2-methyl-3H-pyrano[2,3-b]pyridin-4-one is CCC1(C)CC(=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1.
What is the InChIKey of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-ethyl-2-methyl-3H-pyrano[2,3-b]pyridin-4-one?
The InChIKey is OYJIOLCISBUXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2NO2/c1-3-23(2)13-20(27)18-12-17(14-8-10-15(24)11-9-14)21(26-22(18)28-23)16-6-4-5-7-19(16)25/h4-12H,3,13H2,1-2H3.
What are the key properties of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-ethyl-2-methyl-3H-pyrano[2,3-b]pyridin-4-one?
7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-ethyl-2-methyl-3H-pyrano[2,3-b]pyridin-4-one has a molecular weight of 412.32 g/mol, XLogP of 6.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-ethyl-2-methyl-3H-pyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 24996237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).