3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridazin-6-one

C11H8ClFN2O — CID 162738820

IUPAC3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridazin-6-one
SMILESO=c1ccc(Cc2ccc(Cl)cc2F)n[nH]1
InChIInChI=1S/C11H8ClFN2O/c12-8-2-1-7(10(13)6-8)5-9-3-4-11(16)15-14-9/h1-4,6H,5H2,(H,15,16)
InChIKeyJXPKCWORNVFXSQ-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.15
Rot. Bonds2

About 3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridazin-6-one

3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridazin-6-one (PubChem CID 162738820) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridazin-6-one
PubChem CID162738820
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridazin-6-one
SMILESO=c1ccc(Cc2ccc(Cl)cc2F)n[nH]1
InChIInChI=1S/C11H8ClFN2O/c12-8-2-1-7(10(13)6-8)5-9-3-4-11(16)15-14-9/h1-4,6H,5H2,(H,15,16)
InChIKeyJXPKCWORNVFXSQ-UHFFFAOYSA-N
XLogP2.15
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
5-(4-chlorophenyl)-6-methyl-4-(2,4,6-trifluorophenyl)-2H-pyridazin-3-one
CID 57793906
Acetic acid, (2,4-dichloro-alpha-methylbenzylidene)hydrazide
CID 6510255

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridazin-6-one (CID 162738820) is 3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridazin-6-one is O=c1ccc(Cc2ccc(Cl)cc2F)n[nH]1.
What is the InChIKey of 3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridazin-6-one?
The InChIKey is JXPKCWORNVFXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c12-8-2-1-7(10(13)6-8)5-9-3-4-11(16)15-14-9/h1-4,6H,5H2,(H,15,16).
What are the key properties of 3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridazin-6-one?
3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridazin-6-one has a molecular weight of 238.65 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 162738820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).