4-(4-chlorophenyl)-3-phenyl-1H-pyridazin-6-one

C16H11ClN2O — CID 11414879

IUPAC4-(4-chlorophenyl)-3-phenyl-1H-pyridazin-6-one
SMILESO=c1cc(-c2ccc(Cl)cc2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H11ClN2O/c17-13-8-6-11(7-9-13)14-10-15(20)18-19-16(14)12-4-2-1-3-5-12/h1-10H,(H,18,20)
InChIKeyMFSFHFRHJIURPC-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.76
Rot. Bonds2

About 4-(4-chlorophenyl)-3-phenyl-1H-pyridazin-6-one

4-(4-chlorophenyl)-3-phenyl-1H-pyridazin-6-one (PubChem CID 11414879) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-phenyl-1H-pyridazin-6-one
PubChem CID11414879
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name4-(4-chlorophenyl)-3-phenyl-1H-pyridazin-6-one
SMILESO=c1cc(-c2ccc(Cl)cc2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H11ClN2O/c17-13-8-6-11(7-9-13)14-10-15(20)18-19-16(14)12-4-2-1-3-5-12/h1-10H,(H,18,20)
InChIKeyMFSFHFRHJIURPC-UHFFFAOYSA-N
XLogP3.76
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 4-(4-chlorophenyl)-3-phenyl-1H-pyridazin-6-one (CID 11414879) is 4-(4-chlorophenyl)-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-(4-chlorophenyl)-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 4-(4-chlorophenyl)-3-phenyl-1H-pyridazin-6-one is O=c1cc(-c2ccc(Cl)cc2)c(-c2ccccc2)n[nH]1.
What is the InChIKey of 4-(4-chlorophenyl)-3-phenyl-1H-pyridazin-6-one?
The InChIKey is MFSFHFRHJIURPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-13-8-6-11(7-9-13)14-10-15(20)18-19-16(14)12-4-2-1-3-5-12/h1-10H,(H,18,20).
What are the key properties of 4-(4-chlorophenyl)-3-phenyl-1H-pyridazin-6-one?
4-(4-chlorophenyl)-3-phenyl-1H-pyridazin-6-one has a molecular weight of 282.73 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 11414879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).