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

C16H9BrCl2N2O2 — CID 58585311

IUPAC4-(4-bromophenoxy)-5-chloro-2-(4-chlorophenyl)pyridazin-3-one
SMILESO=c1c(Oc2ccc(Br)cc2)c(Cl)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H9BrCl2N2O2/c17-10-1-7-13(8-2-10)23-15-14(19)9-20-21(16(15)22)12-5-3-11(18)4-6-12/h1-9H
InChIKeyPHLBTRYJNYMGOQ-UHFFFAOYSA-N
MW412.07 g/mol
LogP5.09
Rot. Bonds3

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

4-(4-bromophenoxy)-5-chloro-2-(4-chlorophenyl)pyridazin-3-one (PubChem CID 58585311) has the molecular formula C16H9BrCl2N2O2 and a molecular weight of 412.07 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-5-chloro-2-(4-chlorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-(4-bromophenoxy)-5-chloro-2-(4-chlorophenyl)pyridazin-3-one
PubChem CID58585311
Molecular FormulaC16H9BrCl2N2O2
Molecular Weight412.07 g/mol
Exact Mass409.92
IUPAC Name4-(4-bromophenoxy)-5-chloro-2-(4-chlorophenyl)pyridazin-3-one
SMILESO=c1c(Oc2ccc(Br)cc2)c(Cl)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H9BrCl2N2O2/c17-10-1-7-13(8-2-10)23-15-14(19)9-20-21(16(15)22)12-5-3-11(18)4-6-12/h1-9H
InChIKeyPHLBTRYJNYMGOQ-UHFFFAOYSA-N
XLogP5.09
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.07
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-5-chloro-2-(4-chlorophenyl)pyridazin-3-one?
The IUPAC name of 4-(4-bromophenoxy)-5-chloro-2-(4-chlorophenyl)pyridazin-3-one (CID 58585311) is 4-(4-bromophenoxy)-5-chloro-2-(4-chlorophenyl)pyridazin-3-one.
What is the SMILES notation for 4-(4-bromophenoxy)-5-chloro-2-(4-chlorophenyl)pyridazin-3-one?
The canonical SMILES for 4-(4-bromophenoxy)-5-chloro-2-(4-chlorophenyl)pyridazin-3-one is O=c1c(Oc2ccc(Br)cc2)c(Cl)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-bromophenoxy)-5-chloro-2-(4-chlorophenyl)pyridazin-3-one?
The InChIKey is PHLBTRYJNYMGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrCl2N2O2/c17-10-1-7-13(8-2-10)23-15-14(19)9-20-21(16(15)22)12-5-3-11(18)4-6-12/h1-9H.
What are the key properties of 4-(4-bromophenoxy)-5-chloro-2-(4-chlorophenyl)pyridazin-3-one?
4-(4-bromophenoxy)-5-chloro-2-(4-chlorophenyl)pyridazin-3-one has a molecular weight of 412.07 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-5-chloro-2-(4-chlorophenyl)pyridazin-3-one is sourced from PubChem (CID 58585311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).