4-bromo-5-[(4-chloro-2-fluorophenyl)methoxy]-2-(2,6-dichlorophenyl)pyridazin-3-one

C17H9BrCl3FN2O2 — CID 46887184

IUPAC4-bromo-5-[(4-chloro-2-fluorophenyl)methoxy]-2-(2,6-dichlorophenyl)pyridazin-3-one
SMILESO=c1c(Br)c(OCc2ccc(Cl)cc2F)cnn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H9BrCl3FN2O2/c18-15-14(26-8-9-4-5-10(19)6-13(9)22)7-23-24(17(15)25)16-11(20)2-1-3-12(16)21/h1-7H,8H2
InChIKeyWXIHGUQKGUQDGY-UHFFFAOYSA-N
MW478.53 g/mol
LogP5.67
Rot. Bonds4

About 4-bromo-5-[(4-chloro-2-fluorophenyl)methoxy]-2-(2,6-dichlorophenyl)pyridazin-3-one

4-bromo-5-[(4-chloro-2-fluorophenyl)methoxy]-2-(2,6-dichlorophenyl)pyridazin-3-one (PubChem CID 46887184) has the molecular formula C17H9BrCl3FN2O2 and a molecular weight of 478.53 g/mol. Its IUPAC name is 4-bromo-5-[(4-chloro-2-fluorophenyl)methoxy]-2-(2,6-dichlorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[(4-chloro-2-fluorophenyl)methoxy]-2-(2,6-dichlorophenyl)pyridazin-3-one
PubChem CID46887184
Molecular FormulaC17H9BrCl3FN2O2
Molecular Weight478.53 g/mol
Exact Mass475.89
IUPAC Name4-bromo-5-[(4-chloro-2-fluorophenyl)methoxy]-2-(2,6-dichlorophenyl)pyridazin-3-one
SMILESO=c1c(Br)c(OCc2ccc(Cl)cc2F)cnn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H9BrCl3FN2O2/c18-15-14(26-8-9-4-5-10(19)6-13(9)22)7-23-24(17(15)25)16-11(20)2-1-3-12(16)21/h1-7H,8H2
InChIKeyWXIHGUQKGUQDGY-UHFFFAOYSA-N
XLogP5.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.53
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(4-chloro-2-fluorophenyl)methoxy]-2-(2,6-dichlorophenyl)pyridazin-3-one?
The IUPAC name of 4-bromo-5-[(4-chloro-2-fluorophenyl)methoxy]-2-(2,6-dichlorophenyl)pyridazin-3-one (CID 46887184) is 4-bromo-5-[(4-chloro-2-fluorophenyl)methoxy]-2-(2,6-dichlorophenyl)pyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[(4-chloro-2-fluorophenyl)methoxy]-2-(2,6-dichlorophenyl)pyridazin-3-one?
The canonical SMILES for 4-bromo-5-[(4-chloro-2-fluorophenyl)methoxy]-2-(2,6-dichlorophenyl)pyridazin-3-one is O=c1c(Br)c(OCc2ccc(Cl)cc2F)cnn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 4-bromo-5-[(4-chloro-2-fluorophenyl)methoxy]-2-(2,6-dichlorophenyl)pyridazin-3-one?
The InChIKey is WXIHGUQKGUQDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrCl3FN2O2/c18-15-14(26-8-9-4-5-10(19)6-13(9)22)7-23-24(17(15)25)16-11(20)2-1-3-12(16)21/h1-7H,8H2.
What are the key properties of 4-bromo-5-[(4-chloro-2-fluorophenyl)methoxy]-2-(2,6-dichlorophenyl)pyridazin-3-one?
4-bromo-5-[(4-chloro-2-fluorophenyl)methoxy]-2-(2,6-dichlorophenyl)pyridazin-3-one has a molecular weight of 478.53 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(4-chloro-2-fluorophenyl)methoxy]-2-(2,6-dichlorophenyl)pyridazin-3-one is sourced from PubChem (CID 46887184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).