2-[[6-chloro-5-(4-chlorophenyl)-3-pyridinyl]methyl]isoindole-1,3-dione

C20H12Cl2N2O2 — CID 134227927

IUPAC2-[[6-chloro-5-(4-chlorophenyl)-3-pyridinyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cnc(Cl)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H12Cl2N2O2/c21-14-7-5-13(6-8-14)17-9-12(10-23-18(17)22)11-24-19(25)15-3-1-2-4-16(15)20(24)26/h1-10H,11H2
InChIKeyDEZHLEQLUYBGIS-UHFFFAOYSA-N
MW383.23 g/mol
LogP4.85
Rot. Bonds3

About 2-[[6-chloro-5-(4-chlorophenyl)-3-pyridinyl]methyl]isoindole-1,3-dione

2-[[6-chloro-5-(4-chlorophenyl)-3-pyridinyl]methyl]isoindole-1,3-dione (PubChem CID 134227927) has the molecular formula C20H12Cl2N2O2 and a molecular weight of 383.23 g/mol. Its IUPAC name is 2-[[6-chloro-5-(4-chlorophenyl)-3-pyridinyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[6-chloro-5-(4-chlorophenyl)-3-pyridinyl]methyl]isoindole-1,3-dione
PubChem CID134227927
Molecular FormulaC20H12Cl2N2O2
Molecular Weight383.23 g/mol
Exact Mass382.03
IUPAC Name2-[[6-chloro-5-(4-chlorophenyl)-3-pyridinyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cnc(Cl)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H12Cl2N2O2/c21-14-7-5-13(6-8-14)17-9-12(10-23-18(17)22)11-24-19(25)15-3-1-2-4-16(15)20(24)26/h1-10H,11H2
InChIKeyDEZHLEQLUYBGIS-UHFFFAOYSA-N
XLogP4.85
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-5-(4-chlorophenyl)-3-pyridinyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[6-chloro-5-(4-chlorophenyl)-3-pyridinyl]methyl]isoindole-1,3-dione (CID 134227927) is 2-[[6-chloro-5-(4-chlorophenyl)-3-pyridinyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[6-chloro-5-(4-chlorophenyl)-3-pyridinyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[6-chloro-5-(4-chlorophenyl)-3-pyridinyl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1cnc(Cl)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[[6-chloro-5-(4-chlorophenyl)-3-pyridinyl]methyl]isoindole-1,3-dione?
The InChIKey is DEZHLEQLUYBGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N2O2/c21-14-7-5-13(6-8-14)17-9-12(10-23-18(17)22)11-24-19(25)15-3-1-2-4-16(15)20(24)26/h1-10H,11H2.
What are the key properties of 2-[[6-chloro-5-(4-chlorophenyl)-3-pyridinyl]methyl]isoindole-1,3-dione?
2-[[6-chloro-5-(4-chlorophenyl)-3-pyridinyl]methyl]isoindole-1,3-dione has a molecular weight of 383.23 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-5-(4-chlorophenyl)-3-pyridinyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 134227927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).