3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one

C17H12ClFN2O — CID 53483964

IUPAC3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccc(Cl)cc2)cc1Cc1ccc(F)cc1
InChIInChI=1S/C17H12ClFN2O/c18-14-5-3-12(4-6-14)16-10-13(17(22)21-20-16)9-11-1-7-15(19)8-2-11/h1-8,10H,9H2,(H,21,22)
InChIKeyRPXXNFZMNUUFTO-UHFFFAOYSA-N
MW314.75 g/mol
LogP3.82
Rot. Bonds3

About 3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one

3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one (PubChem CID 53483964) has the molecular formula C17H12ClFN2O and a molecular weight of 314.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one
PubChem CID53483964
Molecular FormulaC17H12ClFN2O
Molecular Weight314.75 g/mol
Exact Mass314.06
IUPAC Name3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccc(Cl)cc2)cc1Cc1ccc(F)cc1
InChIInChI=1S/C17H12ClFN2O/c18-14-5-3-12(4-6-14)16-10-13(17(22)21-20-16)9-11-1-7-15(19)8-2-11/h1-8,10H,9H2,(H,21,22)
InChIKeyRPXXNFZMNUUFTO-UHFFFAOYSA-N
XLogP3.82
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chlorobenzyl)phthalazin-1(2H)-one
CID 104452
6-(4-Chlorophenyl)-4,5-Dihydropyridazin-3(2H)-One
CID 120990
6-(4-Chlorophenyl)-2,3-dihydropyridazin-3-one
CID 689085
5-Acetyl-3,4-bis(4-chlorophenyl)-6(1H)-pyridazinone
CID 439087
(4-Chloro-phenyl)-acetic acid [1-(4-fluoro-phenyl)-ethylidene]-hydrazide
CID 5439289
2-chloro-N'-[(1Z)-1-phenylbutylidene]benzohydrazide
CID 6526242
4,6-diphenylpyridazin-3(2H)-one
CID 5060259
4-(4-chlorophenyl)-6-(3-methylphenyl)-4,5-dihydro-3(2H)-pyridazinone
CID 3543116
4-(2,4-dichlorophenyl)-6-phenyl-4,5-dihydro-3(2H)-pyridazinone
CID 3692388
4-(3-chlorophenyl)-6-(4-chlorophenyl)-4,5-dihydro-3(2H)-pyridazinone
CID 3742146
6-(4-chlorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-3(2H)-pyridazinone
CID 3813527
6-(4-chlorophenyl)-4-(4-methylphenyl)-4,5-dihydro-3(2H)-pyridazinone
CID 5182021

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one?
The IUPAC name of 3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one (CID 53483964) is 3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one is O=c1[nH]nc(-c2ccc(Cl)cc2)cc1Cc1ccc(F)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one?
The InChIKey is RPXXNFZMNUUFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O/c18-14-5-3-12(4-6-14)16-10-13(17(22)21-20-16)9-11-1-7-15(19)8-2-11/h1-8,10H,9H2,(H,21,22).
What are the key properties of 3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one?
3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one has a molecular weight of 314.75 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 53483964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).