4-bromo-2-(2,6-dichlorophenyl)-5-(2-phenylethoxy)pyridazin-3-one

C18H13BrCl2N2O2 — CID 46887099

IUPAC4-bromo-2-(2,6-dichlorophenyl)-5-(2-phenylethoxy)pyridazin-3-one
SMILESO=c1c(Br)c(OCCc2ccccc2)cnn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C18H13BrCl2N2O2/c19-16-15(25-10-9-12-5-2-1-3-6-12)11-22-23(18(16)24)17-13(20)7-4-8-14(17)21/h1-8,11H,9-10H2
InChIKeyYIDQCZHFSBKGQX-UHFFFAOYSA-N
MW440.12 g/mol
LogP4.92
Rot. Bonds5

About 4-bromo-2-(2,6-dichlorophenyl)-5-(2-phenylethoxy)pyridazin-3-one

4-bromo-2-(2,6-dichlorophenyl)-5-(2-phenylethoxy)pyridazin-3-one (PubChem CID 46887099) has the molecular formula C18H13BrCl2N2O2 and a molecular weight of 440.12 g/mol. Its IUPAC name is 4-bromo-2-(2,6-dichlorophenyl)-5-(2-phenylethoxy)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(2,6-dichlorophenyl)-5-(2-phenylethoxy)pyridazin-3-one
PubChem CID46887099
Molecular FormulaC18H13BrCl2N2O2
Molecular Weight440.12 g/mol
Exact Mass437.95
IUPAC Name4-bromo-2-(2,6-dichlorophenyl)-5-(2-phenylethoxy)pyridazin-3-one
SMILESO=c1c(Br)c(OCCc2ccccc2)cnn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C18H13BrCl2N2O2/c19-16-15(25-10-9-12-5-2-1-3-6-12)11-22-23(18(16)24)17-13(20)7-4-8-14(17)21/h1-8,11H,9-10H2
InChIKeyYIDQCZHFSBKGQX-UHFFFAOYSA-N
XLogP4.92
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.12
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,6-dichlorophenyl)-5-(2-phenylethoxy)pyridazin-3-one?
The IUPAC name of 4-bromo-2-(2,6-dichlorophenyl)-5-(2-phenylethoxy)pyridazin-3-one (CID 46887099) is 4-bromo-2-(2,6-dichlorophenyl)-5-(2-phenylethoxy)pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(2,6-dichlorophenyl)-5-(2-phenylethoxy)pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(2,6-dichlorophenyl)-5-(2-phenylethoxy)pyridazin-3-one is O=c1c(Br)c(OCCc2ccccc2)cnn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 4-bromo-2-(2,6-dichlorophenyl)-5-(2-phenylethoxy)pyridazin-3-one?
The InChIKey is YIDQCZHFSBKGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrCl2N2O2/c19-16-15(25-10-9-12-5-2-1-3-6-12)11-22-23(18(16)24)17-13(20)7-4-8-14(17)21/h1-8,11H,9-10H2.
What are the key properties of 4-bromo-2-(2,6-dichlorophenyl)-5-(2-phenylethoxy)pyridazin-3-one?
4-bromo-2-(2,6-dichlorophenyl)-5-(2-phenylethoxy)pyridazin-3-one has a molecular weight of 440.12 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,6-dichlorophenyl)-5-(2-phenylethoxy)pyridazin-3-one is sourced from PubChem (CID 46887099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).