6-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one

C17H12ClFN2O — CID 102526444

IUPAC6-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one
SMILESO=c1ccc(-c2cccc(Cl)c2)nn1Cc1ccc(F)cc1
InChIInChI=1S/C17H12ClFN2O/c18-14-3-1-2-13(10-14)16-8-9-17(22)21(20-16)11-12-4-6-15(19)7-5-12/h1-10H,11H2
InChIKeyUEMDTSZZHADMFP-UHFFFAOYSA-N
MW314.75 g/mol
LogP3.75
Rot. Bonds3

About 6-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one

6-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one (PubChem CID 102526444) has the molecular formula C17H12ClFN2O and a molecular weight of 314.75 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one
PubChem CID102526444
Molecular FormulaC17H12ClFN2O
Molecular Weight314.75 g/mol
Exact Mass314.06
IUPAC Name6-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one
SMILESO=c1ccc(-c2cccc(Cl)c2)nn1Cc1ccc(F)cc1
InChIInChI=1S/C17H12ClFN2O/c18-14-3-1-2-13(10-14)16-8-9-17(22)21(20-16)11-12-4-6-15(19)7-5-12/h1-10H,11H2
InChIKeyUEMDTSZZHADMFP-UHFFFAOYSA-N
XLogP3.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 6-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one (CID 102526444) is 6-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 6-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one is O=c1ccc(-c2cccc(Cl)c2)nn1Cc1ccc(F)cc1.
What is the InChIKey of 6-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
The InChIKey is UEMDTSZZHADMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O/c18-14-3-1-2-13(10-14)16-8-9-17(22)21(20-16)11-12-4-6-15(19)7-5-12/h1-10H,11H2.
What are the key properties of 6-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
6-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one has a molecular weight of 314.75 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 102526444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).