4-chloro-2-(4-chloro-2-fluorophenyl)-5-[(4-chlorophenyl)methoxy]pyridazin-3-one

C17H10Cl3FN2O2 — CID 3065233

IUPAC4-chloro-2-(4-chloro-2-fluorophenyl)-5-[(4-chlorophenyl)methoxy]pyridazin-3-one
SMILESO=c1c(Cl)c(OCc2ccc(Cl)cc2)cnn1-c1ccc(Cl)cc1F
InChIInChI=1S/C17H10Cl3FN2O2/c18-11-3-1-10(2-4-11)9-25-15-8-22-23(17(24)16(15)20)14-6-5-12(19)7-13(14)21/h1-8H,9H2
InChIKeyYEBPUNKLUUFSDY-UHFFFAOYSA-N
MW399.64 g/mol
LogP4.91
Rot. Bonds4

About 4-chloro-2-(4-chloro-2-fluorophenyl)-5-[(4-chlorophenyl)methoxy]pyridazin-3-one

4-chloro-2-(4-chloro-2-fluorophenyl)-5-[(4-chlorophenyl)methoxy]pyridazin-3-one (PubChem CID 3065233) has the molecular formula C17H10Cl3FN2O2 and a molecular weight of 399.64 g/mol. Its IUPAC name is 4-chloro-2-(4-chloro-2-fluorophenyl)-5-[(4-chlorophenyl)methoxy]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(4-chloro-2-fluorophenyl)-5-[(4-chlorophenyl)methoxy]pyridazin-3-one
PubChem CID3065233
Molecular FormulaC17H10Cl3FN2O2
Molecular Weight399.64 g/mol
Exact Mass397.98
IUPAC Name4-chloro-2-(4-chloro-2-fluorophenyl)-5-[(4-chlorophenyl)methoxy]pyridazin-3-one
SMILESO=c1c(Cl)c(OCc2ccc(Cl)cc2)cnn1-c1ccc(Cl)cc1F
InChIInChI=1S/C17H10Cl3FN2O2/c18-11-3-1-10(2-4-11)9-25-15-8-22-23(17(24)16(15)20)14-6-5-12(19)7-13(14)21/h1-8H,9H2
InChIKeyYEBPUNKLUUFSDY-UHFFFAOYSA-N
XLogP4.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.64
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chloro-2-fluorophenyl)-5-[(4-chlorophenyl)methoxy]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(4-chloro-2-fluorophenyl)-5-[(4-chlorophenyl)methoxy]pyridazin-3-one (CID 3065233) is 4-chloro-2-(4-chloro-2-fluorophenyl)-5-[(4-chlorophenyl)methoxy]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(4-chloro-2-fluorophenyl)-5-[(4-chlorophenyl)methoxy]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(4-chloro-2-fluorophenyl)-5-[(4-chlorophenyl)methoxy]pyridazin-3-one is O=c1c(Cl)c(OCc2ccc(Cl)cc2)cnn1-c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-(4-chloro-2-fluorophenyl)-5-[(4-chlorophenyl)methoxy]pyridazin-3-one?
The InChIKey is YEBPUNKLUUFSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl3FN2O2/c18-11-3-1-10(2-4-11)9-25-15-8-22-23(17(24)16(15)20)14-6-5-12(19)7-13(14)21/h1-8H,9H2.
What are the key properties of 4-chloro-2-(4-chloro-2-fluorophenyl)-5-[(4-chlorophenyl)methoxy]pyridazin-3-one?
4-chloro-2-(4-chloro-2-fluorophenyl)-5-[(4-chlorophenyl)methoxy]pyridazin-3-one has a molecular weight of 399.64 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chloro-2-fluorophenyl)-5-[(4-chlorophenyl)methoxy]pyridazin-3-one is sourced from PubChem (CID 3065233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).