6-chloro-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one

C11H8ClFN2O2 — CID 129057290

IUPAC6-chloro-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(F)c(-n2nc(Cl)ccc2=O)c1
InChIInChI=1S/C11H8ClFN2O2/c1-17-7-2-3-8(13)9(6-7)15-11(16)5-4-10(12)14-15/h2-6H,1H3
InChIKeySTZGXRHSXBAILG-UHFFFAOYSA-N
MW254.65 g/mol
LogP2.03
Rot. Bonds2

About 6-chloro-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one

6-chloro-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one (PubChem CID 129057290) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is 6-chloro-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one
PubChem CID129057290
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Name6-chloro-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(F)c(-n2nc(Cl)ccc2=O)c1
InChIInChI=1S/C11H8ClFN2O2/c1-17-7-2-3-8(13)9(6-7)15-11(16)5-4-10(12)14-15/h2-6H,1H3
InChIKeySTZGXRHSXBAILG-UHFFFAOYSA-N
XLogP2.03
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-1-(3-methoxyphenyl)-6-oxo-1,6-dihydro-3-pyridazinecarbonitrile
CID 1486955
4-Chloro-1-(4-methoxyphenyl)-6-oxo-1,6-dihydro-3-pyridazinecarbonitrile
CID 3775913
4-Hydroxy-1-(3-methoxyphenyl)-6-oxo-1,6-dihydro-3-pyridazinecarboxamide
CID 54696636
3H-Pyrazol-3-one, 2,4-dihydro-2-(3-methoxyphenyl)-5-methyl-
CID 10236080
3-Pyrazolin-5-one, 2,3-dimethyl-1-(3-difluoromethoxyphenyl)-
CID 3046479
2-(3-fluoro-5-methoxyphenyl)-5-methyl-4H-pyrazol-3-one
CID 127038098
6-Methyl-2-[4-(trifluoromethoxy)phenyl]pyridazin-3-one
CID 117880097
2-(4-Methoxyphenyl)-6-methyl-3(2H)-pyridazinone
CID 226570
4-Chloro-2-(4-methoxyphenyl)-6-methyl-3(2H)-pyridazinone
CID 226571
3H-Pyrazol-3-one, 2-[3-(difluoromethoxy)phenyl]-2,4-dihydro-5-methyl-
CID 4592684
4-Chloro-5-(dimethylamino)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridazin-3-one
CID 20364267
4-Bromo-5-methoxy-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridazin-3-one
CID 20364270

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 6-chloro-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one (CID 129057290) is 6-chloro-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 6-chloro-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 6-chloro-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one is COc1ccc(F)c(-n2nc(Cl)ccc2=O)c1.
What is the InChIKey of 6-chloro-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one?
The InChIKey is STZGXRHSXBAILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c1-17-7-2-3-8(13)9(6-7)15-11(16)5-4-10(12)14-15/h2-6H,1H3.
What are the key properties of 6-chloro-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one?
6-chloro-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one has a molecular weight of 254.65 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-fluoro-5-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 129057290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).