5-bromo-4-chloro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)pyridazin-3-one

C10H4BrCl2FN2O2 — CID 22000054

IUPAC5-bromo-4-chloro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Br)cnn1-c1cc(O)c(Cl)cc1F
InChIInChI=1S/C10H4BrCl2FN2O2/c11-4-3-15-16(10(18)9(4)13)7-2-8(17)5(12)1-6(7)14/h1-3,17H
InChIKeyMHGMYFLTZBNTCA-UHFFFAOYSA-N
MW353.96 g/mol
LogP3.15
Rot. Bonds1

About 5-bromo-4-chloro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)pyridazin-3-one

5-bromo-4-chloro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)pyridazin-3-one (PubChem CID 22000054) has the molecular formula C10H4BrCl2FN2O2 and a molecular weight of 353.96 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)pyridazin-3-one
PubChem CID22000054
Molecular FormulaC10H4BrCl2FN2O2
Molecular Weight353.96 g/mol
Exact Mass351.88
IUPAC Name5-bromo-4-chloro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Br)cnn1-c1cc(O)c(Cl)cc1F
InChIInChI=1S/C10H4BrCl2FN2O2/c11-4-3-15-16(10(18)9(4)13)7-2-8(17)5(12)1-6(7)14/h1-3,17H
InChIKeyMHGMYFLTZBNTCA-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.96
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)pyridazin-3-one?
The IUPAC name of 5-bromo-4-chloro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)pyridazin-3-one (CID 22000054) is 5-bromo-4-chloro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)pyridazin-3-one.
What is the SMILES notation for 5-bromo-4-chloro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)pyridazin-3-one?
The canonical SMILES for 5-bromo-4-chloro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)pyridazin-3-one is O=c1c(Cl)c(Br)cnn1-c1cc(O)c(Cl)cc1F.
What is the InChIKey of 5-bromo-4-chloro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)pyridazin-3-one?
The InChIKey is MHGMYFLTZBNTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrCl2FN2O2/c11-4-3-15-16(10(18)9(4)13)7-2-8(17)5(12)1-6(7)14/h1-3,17H.
What are the key properties of 5-bromo-4-chloro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)pyridazin-3-one?
5-bromo-4-chloro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)pyridazin-3-one has a molecular weight of 353.96 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)pyridazin-3-one is sourced from PubChem (CID 22000054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).