4,5-dichloro-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridazin-3-one

C12H6Cl4N2O2 — CID 166162766

IUPAC4,5-dichloro-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H6Cl4N2O2/c13-6-1-2-7(8(14)3-6)10(19)5-18-12(20)11(16)9(15)4-17-18/h1-4H,5H2
InChIKeyZSQMIWNKRZUADU-UHFFFAOYSA-N
MW352.00 g/mol
LogP3.74
Rot. Bonds3

About 4,5-dichloro-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridazin-3-one

4,5-dichloro-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridazin-3-one (PubChem CID 166162766) has the molecular formula C12H6Cl4N2O2 and a molecular weight of 352.00 g/mol. Its IUPAC name is 4,5-dichloro-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridazin-3-one
PubChem CID166162766
Molecular FormulaC12H6Cl4N2O2
Molecular Weight352.00 g/mol
Exact Mass349.92
IUPAC Name4,5-dichloro-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H6Cl4N2O2/c13-6-1-2-7(8(14)3-6)10(19)5-18-12(20)11(16)9(15)4-17-18/h1-4H,5H2
InChIKeyZSQMIWNKRZUADU-UHFFFAOYSA-N
XLogP3.74
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.00
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4,5-dichloro-6-oxopyridazin-1-yl)methyl 2,4-dichlorobenzoate
CID 75176335
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 4277387
4,5-dichloro-2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyridazin-3-one
CID 8861978
4,5-dichloro-2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 7628617
4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]benzonitrile
CID 166162775
4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 7419620
4,5-dichloro-2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 7544095
4,5-dichloro-2-[2-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-2-oxoethyl]pyridazin-3-one
CID 8862868
N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]acetamide
CID 2539129
4,5-dichloro-2-[2-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]pyridazin-3-one
CID 8861949
5-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpyridazin-3-one
CID 166162785
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 115573232

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridazin-3-one (CID 166162766) is 4,5-dichloro-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridazin-3-one is O=C(Cn1ncc(Cl)c(Cl)c1=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 4,5-dichloro-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is ZSQMIWNKRZUADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl4N2O2/c13-6-1-2-7(8(14)3-6)10(19)5-18-12(20)11(16)9(15)4-17-18/h1-4H,5H2.
What are the key properties of 4,5-dichloro-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridazin-3-one?
4,5-dichloro-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 352.00 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 166162766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).