3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one

C10H6ClFN2O — CID 19689346

IUPAC3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(Cl)c(F)c2)n[nH]1
InChIInChI=1S/C10H6ClFN2O/c11-7-2-1-6(5-8(7)12)9-3-4-10(15)14-13-9/h1-5H,(H,14,15)
InChIKeyFJWBUDBZGFFNEX-UHFFFAOYSA-N
MW224.62 g/mol
LogP2.23
Rot. Bonds1

About 3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one

3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one (PubChem CID 19689346) has the molecular formula C10H6ClFN2O and a molecular weight of 224.62 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one
PubChem CID19689346
Molecular FormulaC10H6ClFN2O
Molecular Weight224.62 g/mol
Exact Mass224.02
IUPAC Name3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(Cl)c(F)c2)n[nH]1
InChIInChI=1S/C10H6ClFN2O/c11-7-2-1-6(5-8(7)12)9-3-4-10(15)14-13-9/h1-5H,(H,14,15)
InChIKeyFJWBUDBZGFFNEX-UHFFFAOYSA-N
XLogP2.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.62
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chloro-3-fluorophenyl)-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

6-(4-Chlorophenyl)-4,5-Dihydropyridazin-3(2H)-One
CID 120990
3-Phenyl-6-pyridazone
CID 75106
6-(4-Chlorophenyl)-2,3-dihydropyridazin-3-one
CID 689085
6-(4-Fluorophenyl)pyridazin-3-ol
CID 4564862
2-(2,4-Dichlorophenyl)-2-(6-hydroxy-3-pyridazinyl)acetonitrile
CID 4358479
5-Chloro-6-phenylpyridazin-3-ol
CID 2735803
N'-(2-Chlorobenzylidene)-6-oxo-1,6-dihydropyridazine-3-carbohydrazide
CID 6882506
N'-[1-(4-chlorophenyl)ethylidene]cyclopropanecarbohydrazide
CID 9605883
6-(4-Chlorobenzyl)-3-pyridazinol
CID 1482949
4-(4-chlorophenyl)-3-phenyl-1H-pyridazin-6-one
CID 11414879
Acetic acid, (2,4-dichloro-alpha-methylbenzylidene)hydrazide
CID 6510255
Acetic acid, trifluoro-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)-
CID 9589062

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one (CID 19689346) is 3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one is O=c1ccc(-c2ccc(Cl)c(F)c2)n[nH]1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one?
The InChIKey is FJWBUDBZGFFNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O/c11-7-2-1-6(5-8(7)12)9-3-4-10(15)14-13-9/h1-5H,(H,14,15).
What are the key properties of 3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one?
3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one has a molecular weight of 224.62 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 19689346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).