2-[[4-(6-chloropyridazin-3-yl)oxyphenyl]methyl]isoindole-1,3-dione

C19H12ClN3O3 — CID 58801142

IUPAC2-[[4-(6-chloropyridazin-3-yl)oxyphenyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(Oc2ccc(Cl)nn2)cc1
InChIInChI=1S/C19H12ClN3O3/c20-16-9-10-17(22-21-16)26-13-7-5-12(6-8-13)11-23-18(24)14-3-1-2-4-15(14)19(23)25/h1-10H,11H2
InChIKeyXGYXAPXEJAFJCQ-UHFFFAOYSA-N
MW365.78 g/mol
LogP3.72
Rot. Bonds4

About 2-[[4-(6-chloropyridazin-3-yl)oxyphenyl]methyl]isoindole-1,3-dione

2-[[4-(6-chloropyridazin-3-yl)oxyphenyl]methyl]isoindole-1,3-dione (PubChem CID 58801142) has the molecular formula C19H12ClN3O3 and a molecular weight of 365.78 g/mol. Its IUPAC name is 2-[[4-(6-chloropyridazin-3-yl)oxyphenyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[4-(6-chloropyridazin-3-yl)oxyphenyl]methyl]isoindole-1,3-dione
PubChem CID58801142
Molecular FormulaC19H12ClN3O3
Molecular Weight365.78 g/mol
Exact Mass365.06
IUPAC Name2-[[4-(6-chloropyridazin-3-yl)oxyphenyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(Oc2ccc(Cl)nn2)cc1
InChIInChI=1S/C19H12ClN3O3/c20-16-9-10-17(22-21-16)26-13-7-5-12(6-8-13)11-23-18(24)14-3-1-2-4-15(14)19(23)25/h1-10H,11H2
InChIKeyXGYXAPXEJAFJCQ-UHFFFAOYSA-N
XLogP3.72
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-chloropyridazin-3-yl)oxyphenyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[4-(6-chloropyridazin-3-yl)oxyphenyl]methyl]isoindole-1,3-dione (CID 58801142) is 2-[[4-(6-chloropyridazin-3-yl)oxyphenyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[4-(6-chloropyridazin-3-yl)oxyphenyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[4-(6-chloropyridazin-3-yl)oxyphenyl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1ccc(Oc2ccc(Cl)nn2)cc1.
What is the InChIKey of 2-[[4-(6-chloropyridazin-3-yl)oxyphenyl]methyl]isoindole-1,3-dione?
The InChIKey is XGYXAPXEJAFJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O3/c20-16-9-10-17(22-21-16)26-13-7-5-12(6-8-13)11-23-18(24)14-3-1-2-4-15(14)19(23)25/h1-10H,11H2.
What are the key properties of 2-[[4-(6-chloropyridazin-3-yl)oxyphenyl]methyl]isoindole-1,3-dione?
2-[[4-(6-chloropyridazin-3-yl)oxyphenyl]methyl]isoindole-1,3-dione has a molecular weight of 365.78 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-chloropyridazin-3-yl)oxyphenyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 58801142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).