4,5-dichloro-2-(4-chlorophenyl)-1H-pyridazine-3,6-dione

C10H5Cl3N2O2 — CID 2223644

IUPAC4,5-dichloro-2-(4-chlorophenyl)-1H-pyridazine-3,6-dione
SMILESO=c1[nH]n(-c2ccc(Cl)cc2)c(=O)c(Cl)c1Cl
InChIInChI=1S/C10H5Cl3N2O2/c11-5-1-3-6(4-2-5)15-10(17)8(13)7(12)9(16)14-15/h1-4H,(H,14,16)
InChIKeyHRNPMZKKFCNRJP-UHFFFAOYSA-N
MW291.52 g/mol
LogP2.49
Rot. Bonds1

About 4,5-dichloro-2-(4-chlorophenyl)-1H-pyridazine-3,6-dione

4,5-dichloro-2-(4-chlorophenyl)-1H-pyridazine-3,6-dione (PubChem CID 2223644) has the molecular formula C10H5Cl3N2O2 and a molecular weight of 291.52 g/mol. Its IUPAC name is 4,5-dichloro-2-(4-chlorophenyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name4,5-dichloro-2-(4-chlorophenyl)-1H-pyridazine-3,6-dione
PubChem CID2223644
Molecular FormulaC10H5Cl3N2O2
Molecular Weight291.52 g/mol
Exact Mass289.94
IUPAC Name4,5-dichloro-2-(4-chlorophenyl)-1H-pyridazine-3,6-dione
SMILESO=c1[nH]n(-c2ccc(Cl)cc2)c(=O)c(Cl)c1Cl
InChIInChI=1S/C10H5Cl3N2O2/c11-5-1-3-6(4-2-5)15-10(17)8(13)7(12)9(16)14-15/h1-4H,(H,14,16)
InChIKeyHRNPMZKKFCNRJP-UHFFFAOYSA-N
XLogP2.49
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.52
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4'-Dichloroacetanilide
CID 94920
4-Chloro-1,2-dihydro-1-phenylpyridazine-3,6-dione
CID 74334
4,5-Dichloro-2-(4-chlorophenyl)-3(2H)-pyridazinone
CID 779402
4,5-dichloro-6-hydroxy-2-phenyl-3(2H)-pyridazinone
CID 796608
1-(4-chlorophenyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid
CID 17609321
1-(4-Chlorophenyl)-1,2-dihydro-3H-pyrazol-3-one
CID 11356026
Acetamide, 2,2,2-trichloro-N-(4-chlorophenyl)-
CID 520391
(4Z)-4-[(4-chlorophenyl)hydrazinylidene]-5-methyl-2-phenylpyrazol-3-one
CID 748661
N~1~-(4-chlorophenyl)-2-butenediamide
CID 2476694
1-(2-chlorophenyl)-3-methyl-1H-pyrazol-5-ol
CID 736171
1-(4'-Chlorophenyl)-4-formyl-5-hydroxy-3-methylpyrazole
CID 872869
1-(4-chlorophenyl)-3-propyl-1H-pyrazol-5-ol
CID 16422931

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(4-chlorophenyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 4,5-dichloro-2-(4-chlorophenyl)-1H-pyridazine-3,6-dione (CID 2223644) is 4,5-dichloro-2-(4-chlorophenyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 4,5-dichloro-2-(4-chlorophenyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 4,5-dichloro-2-(4-chlorophenyl)-1H-pyridazine-3,6-dione is O=c1[nH]n(-c2ccc(Cl)cc2)c(=O)c(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-2-(4-chlorophenyl)-1H-pyridazine-3,6-dione?
The InChIKey is HRNPMZKKFCNRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3N2O2/c11-5-1-3-6(4-2-5)15-10(17)8(13)7(12)9(16)14-15/h1-4H,(H,14,16).
What are the key properties of 4,5-dichloro-2-(4-chlorophenyl)-1H-pyridazine-3,6-dione?
4,5-dichloro-2-(4-chlorophenyl)-1H-pyridazine-3,6-dione has a molecular weight of 291.52 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(4-chlorophenyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 2223644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).