4,5-dichloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)pyridazin-3-one

C11H6Cl3FN2O2 — CID 22000048

IUPAC4,5-dichloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)pyridazin-3-one
SMILESCOc1cc(-n2ncc(Cl)c(Cl)c2=O)c(F)cc1Cl
InChIInChI=1S/C11H6Cl3FN2O2/c1-19-9-3-8(7(15)2-5(9)12)17-11(18)10(14)6(13)4-16-17/h2-4H,1H3
InChIKeyCXLBFAVUXAQUPR-UHFFFAOYSA-N
MW323.54 g/mol
LogP3.34
Rot. Bonds2

About 4,5-dichloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)pyridazin-3-one

4,5-dichloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)pyridazin-3-one (PubChem CID 22000048) has the molecular formula C11H6Cl3FN2O2 and a molecular weight of 323.54 g/mol. Its IUPAC name is 4,5-dichloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)pyridazin-3-one
PubChem CID22000048
Molecular FormulaC11H6Cl3FN2O2
Molecular Weight323.54 g/mol
Exact Mass321.95
IUPAC Name4,5-dichloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)pyridazin-3-one
SMILESCOc1cc(-n2ncc(Cl)c(Cl)c2=O)c(F)cc1Cl
InChIInChI=1S/C11H6Cl3FN2O2/c1-19-9-3-8(7(15)2-5(9)12)17-11(18)10(14)6(13)4-16-17/h2-4H,1H3
InChIKeyCXLBFAVUXAQUPR-UHFFFAOYSA-N
XLogP3.34
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.54
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)pyridazin-3-one (CID 22000048) is 4,5-dichloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)pyridazin-3-one is COc1cc(-n2ncc(Cl)c(Cl)c2=O)c(F)cc1Cl.
What is the InChIKey of 4,5-dichloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)pyridazin-3-one?
The InChIKey is CXLBFAVUXAQUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3FN2O2/c1-19-9-3-8(7(15)2-5(9)12)17-11(18)10(14)6(13)4-16-17/h2-4H,1H3.
What are the key properties of 4,5-dichloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)pyridazin-3-one?
4,5-dichloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)pyridazin-3-one has a molecular weight of 323.54 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 22000048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).