5-chloro-2-(3-chlorophenyl)-4-(4-methoxyphenoxy)pyridazin-3-one

C17H12Cl2N2O3 — CID 46846317

IUPAC5-chloro-2-(3-chlorophenyl)-4-(4-methoxyphenoxy)pyridazin-3-one
SMILESCOc1ccc(Oc2c(Cl)cnn(-c3cccc(Cl)c3)c2=O)cc1
InChIInChI=1S/C17H12Cl2N2O3/c1-23-13-5-7-14(8-6-13)24-16-15(19)10-20-21(17(16)22)12-4-2-3-11(18)9-12/h2-10H,1H3
InChIKeyUUXCOHOSVVRKLO-UHFFFAOYSA-N
MW363.20 g/mol
LogP4.34
Rot. Bonds4

About 5-chloro-2-(3-chlorophenyl)-4-(4-methoxyphenoxy)pyridazin-3-one

5-chloro-2-(3-chlorophenyl)-4-(4-methoxyphenoxy)pyridazin-3-one (PubChem CID 46846317) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is 5-chloro-2-(3-chlorophenyl)-4-(4-methoxyphenoxy)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(3-chlorophenyl)-4-(4-methoxyphenoxy)pyridazin-3-one
PubChem CID46846317
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC Name5-chloro-2-(3-chlorophenyl)-4-(4-methoxyphenoxy)pyridazin-3-one
SMILESCOc1ccc(Oc2c(Cl)cnn(-c3cccc(Cl)c3)c2=O)cc1
InChIInChI=1S/C17H12Cl2N2O3/c1-23-13-5-7-14(8-6-13)24-16-15(19)10-20-21(17(16)22)12-4-2-3-11(18)9-12/h2-10H,1H3
InChIKeyUUXCOHOSVVRKLO-UHFFFAOYSA-N
XLogP4.34
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-chlorophenyl)-4-(4-methoxyphenoxy)pyridazin-3-one?
The IUPAC name of 5-chloro-2-(3-chlorophenyl)-4-(4-methoxyphenoxy)pyridazin-3-one (CID 46846317) is 5-chloro-2-(3-chlorophenyl)-4-(4-methoxyphenoxy)pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(3-chlorophenyl)-4-(4-methoxyphenoxy)pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(3-chlorophenyl)-4-(4-methoxyphenoxy)pyridazin-3-one is COc1ccc(Oc2c(Cl)cnn(-c3cccc(Cl)c3)c2=O)cc1.
What is the InChIKey of 5-chloro-2-(3-chlorophenyl)-4-(4-methoxyphenoxy)pyridazin-3-one?
The InChIKey is UUXCOHOSVVRKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c1-23-13-5-7-14(8-6-13)24-16-15(19)10-20-21(17(16)22)12-4-2-3-11(18)9-12/h2-10H,1H3.
What are the key properties of 5-chloro-2-(3-chlorophenyl)-4-(4-methoxyphenoxy)pyridazin-3-one?
5-chloro-2-(3-chlorophenyl)-4-(4-methoxyphenoxy)pyridazin-3-one has a molecular weight of 363.20 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-chlorophenyl)-4-(4-methoxyphenoxy)pyridazin-3-one is sourced from PubChem (CID 46846317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).