7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclopentane]-4-one

C24H19Cl2NO2 — CID 24994351

IUPAC7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclopentane]-4-one
SMILESO=C1CC2(CCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C24H19Cl2NO2/c25-16-9-7-15(8-10-16)18-13-19-21(28)14-24(11-3-4-12-24)29-23(19)27-22(18)17-5-1-2-6-20(17)26/h1-2,5-10,13H,3-4,11-12,14H2
InChIKeyOMWKLZJZJXOYOV-UHFFFAOYSA-N
MW424.33 g/mol
LogP7.00
Rot. Bonds2

About 7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclopentane]-4-one

7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclopentane]-4-one (PubChem CID 24994351) has the molecular formula C24H19Cl2NO2 and a molecular weight of 424.33 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclopentane]-4-one
PubChem CID24994351
Molecular FormulaC24H19Cl2NO2
Molecular Weight424.33 g/mol
Exact Mass423.08
IUPAC Name7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclopentane]-4-one
SMILESO=C1CC2(CCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C24H19Cl2NO2/c25-16-9-7-15(8-10-16)18-13-19-21(28)14-24(11-3-4-12-24)29-23(19)27-22(18)17-5-1-2-6-20(17)26/h1-2,5-10,13H,3-4,11-12,14H2
InChIKeyOMWKLZJZJXOYOV-UHFFFAOYSA-N
XLogP7.00
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.33
LogP ≤ 57.00
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)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclopentane]-4-one?
The IUPAC name of 7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclopentane]-4-one (CID 24994351) is 7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclopentane]-4-one.
What is the SMILES notation for 7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclopentane]-4-one?
The canonical SMILES for 7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclopentane]-4-one is O=C1CC2(CCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21.
What is the InChIKey of 7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclopentane]-4-one?
The InChIKey is OMWKLZJZJXOYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2NO2/c25-16-9-7-15(8-10-16)18-13-19-21(28)14-24(11-3-4-12-24)29-23(19)27-22(18)17-5-1-2-6-20(17)26/h1-2,5-10,13H,3-4,11-12,14H2.
What are the key properties of 7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclopentane]-4-one?
7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclopentane]-4-one has a molecular weight of 424.33 g/mol, XLogP of 7.00, 2 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)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclopentane]-4-one is sourced from PubChem (CID 24994351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).