7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(3-fluorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one

C26H16Cl2FNO2 — CID 46890915

IUPAC7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(3-fluorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one
SMILESO=C1CC(c2cccc(F)c2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C26H16Cl2FNO2/c27-17-10-8-15(9-11-17)20-13-21-23(31)14-24(16-4-3-5-18(29)12-16)32-26(21)30-25(20)19-6-1-2-7-22(19)28/h1-13,24H,14H2
InChIKeyQUYRRBBIPJEXPS-UHFFFAOYSA-N
MW464.32 g/mol
LogP7.57
Rot. Bonds3

About 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(3-fluorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one

7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(3-fluorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one (PubChem CID 46890915) has the molecular formula C26H16Cl2FNO2 and a molecular weight of 464.32 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(3-fluorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(3-fluorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one
PubChem CID46890915
Molecular FormulaC26H16Cl2FNO2
Molecular Weight464.32 g/mol
Exact Mass463.05
IUPAC Name7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(3-fluorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one
SMILESO=C1CC(c2cccc(F)c2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C26H16Cl2FNO2/c27-17-10-8-15(9-11-17)20-13-21-23(31)14-24(16-4-3-5-18(29)12-16)32-26(21)30-25(20)19-6-1-2-7-22(19)28/h1-13,24H,14H2
InChIKeyQUYRRBBIPJEXPS-UHFFFAOYSA-N
XLogP7.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.32
LogP ≤ 57.57
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-(3-fluorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The IUPAC name of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(3-fluorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one (CID 46890915) is 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(3-fluorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one.
What is the SMILES notation for 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(3-fluorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The canonical SMILES for 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(3-fluorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one is O=C1CC(c2cccc(F)c2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21.
What is the InChIKey of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(3-fluorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The InChIKey is QUYRRBBIPJEXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl2FNO2/c27-17-10-8-15(9-11-17)20-13-21-23(31)14-24(16-4-3-5-18(29)12-16)32-26(21)30-25(20)19-6-1-2-7-22(19)28/h1-13,24H,14H2.
What are the key properties of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(3-fluorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one?
7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(3-fluorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one has a molecular weight of 464.32 g/mol, XLogP of 7.57, 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-(3-fluorophenyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 46890915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).