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

C25H21Cl2NO2 — CID 24994664

IUPAC7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-one
SMILESO=C1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C25H21Cl2NO2/c26-17-10-8-16(9-11-17)19-14-20-22(29)15-25(12-4-1-5-13-25)30-24(20)28-23(19)18-6-2-3-7-21(18)27/h2-3,6-11,14H,1,4-5,12-13,15H2
InChIKeyYGMBRTXNNDMADZ-UHFFFAOYSA-N
MW438.35 g/mol
LogP7.39
Rot. Bonds2

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

7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-one (PubChem CID 24994664) has the molecular formula C25H21Cl2NO2 and a molecular weight of 438.35 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-one
PubChem CID24994664
Molecular FormulaC25H21Cl2NO2
Molecular Weight438.35 g/mol
Exact Mass437.09
IUPAC Name7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-one
SMILESO=C1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C25H21Cl2NO2/c26-17-10-8-16(9-11-17)19-14-20-22(29)15-25(12-4-1-5-13-25)30-24(20)28-23(19)18-6-2-3-7-21(18)27/h2-3,6-11,14H,1,4-5,12-13,15H2
InChIKeyYGMBRTXNNDMADZ-UHFFFAOYSA-N
XLogP7.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.35
LogP ≤ 57.39
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'-cyclohexane]-4-one?
The IUPAC name of 7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-one (CID 24994664) is 7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-one.
What is the SMILES notation for 7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-one?
The canonical SMILES for 7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-one is O=C1CC2(CCCCC2)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'-cyclohexane]-4-one?
The InChIKey is YGMBRTXNNDMADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2NO2/c26-17-10-8-16(9-11-17)19-14-20-22(29)15-25(12-4-1-5-13-25)30-24(20)28-23(19)18-6-2-3-7-21(18)27/h2-3,6-11,14H,1,4-5,12-13,15H2.
What are the key properties of 7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-one?
7-(2-chlorophenyl)-6-(4-chlorophenyl)spiro[3H-pyrano[2,3-b]pyridine-2,1'-cyclohexane]-4-one has a molecular weight of 438.35 g/mol, XLogP of 7.39, 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'-cyclohexane]-4-one is sourced from PubChem (CID 24994664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).