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

C17H11BrCl2N2O2 — CID 46887097

IUPAC4-bromo-2-(2,6-dichlorophenyl)-5-phenylmethoxypyridazin-3-one
SMILESO=c1c(Br)c(OCc2ccccc2)cnn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H11BrCl2N2O2/c18-15-14(24-10-11-5-2-1-3-6-11)9-21-22(17(15)23)16-12(19)7-4-8-13(16)20/h1-9H,10H2
InChIKeySJAZMLMFPUHDMM-UHFFFAOYSA-N
MW426.10 g/mol
LogP4.88
Rot. Bonds4

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

4-bromo-2-(2,6-dichlorophenyl)-5-phenylmethoxypyridazin-3-one (PubChem CID 46887097) has the molecular formula C17H11BrCl2N2O2 and a molecular weight of 426.10 g/mol. Its IUPAC name is 4-bromo-2-(2,6-dichlorophenyl)-5-phenylmethoxypyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(2,6-dichlorophenyl)-5-phenylmethoxypyridazin-3-one
PubChem CID46887097
Molecular FormulaC17H11BrCl2N2O2
Molecular Weight426.10 g/mol
Exact Mass423.94
IUPAC Name4-bromo-2-(2,6-dichlorophenyl)-5-phenylmethoxypyridazin-3-one
SMILESO=c1c(Br)c(OCc2ccccc2)cnn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H11BrCl2N2O2/c18-15-14(24-10-11-5-2-1-3-6-11)9-21-22(17(15)23)16-12(19)7-4-8-13(16)20/h1-9H,10H2
InChIKeySJAZMLMFPUHDMM-UHFFFAOYSA-N
XLogP4.88
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.10
LogP ≤ 54.88
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-phenylmethoxypyridazin-3-one?
The IUPAC name of 4-bromo-2-(2,6-dichlorophenyl)-5-phenylmethoxypyridazin-3-one (CID 46887097) is 4-bromo-2-(2,6-dichlorophenyl)-5-phenylmethoxypyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(2,6-dichlorophenyl)-5-phenylmethoxypyridazin-3-one?
The canonical SMILES for 4-bromo-2-(2,6-dichlorophenyl)-5-phenylmethoxypyridazin-3-one is O=c1c(Br)c(OCc2ccccc2)cnn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 4-bromo-2-(2,6-dichlorophenyl)-5-phenylmethoxypyridazin-3-one?
The InChIKey is SJAZMLMFPUHDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrCl2N2O2/c18-15-14(24-10-11-5-2-1-3-6-11)9-21-22(17(15)23)16-12(19)7-4-8-13(16)20/h1-9H,10H2.
What are the key properties of 4-bromo-2-(2,6-dichlorophenyl)-5-phenylmethoxypyridazin-3-one?
4-bromo-2-(2,6-dichlorophenyl)-5-phenylmethoxypyridazin-3-one has a molecular weight of 426.10 g/mol, XLogP of 4.88, 4 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-phenylmethoxypyridazin-3-one is sourced from PubChem (CID 46887097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).