6-(4-chlorophenyl)-1,2-dihydropyridazine-3,4-dione

C10H7ClN2O2 — CID 790054

IUPAC6-(4-chlorophenyl)-1,2-dihydropyridazine-3,4-dione
SMILESO=c1cc(-c2ccc(Cl)cc2)[nH][nH]c1=O
InChIInChI=1S/C10H7ClN2O2/c11-7-3-1-6(2-4-7)8-5-9(14)10(15)13-12-8/h1-5H,(H,12,14)(H,13,15)
InChIKeyTUBNNPCYSWXMBQ-UHFFFAOYSA-N
MW222.63 g/mol
LogP1.38
Rot. Bonds1

About 6-(4-chlorophenyl)-1,2-dihydropyridazine-3,4-dione

6-(4-chlorophenyl)-1,2-dihydropyridazine-3,4-dione (PubChem CID 790054) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1,2-dihydropyridazine-3,4-dione.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1,2-dihydropyridazine-3,4-dione
PubChem CID790054
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name6-(4-chlorophenyl)-1,2-dihydropyridazine-3,4-dione
SMILESO=c1cc(-c2ccc(Cl)cc2)[nH][nH]c1=O
InChIInChI=1S/C10H7ClN2O2/c11-7-3-1-6(2-4-7)8-5-9(14)10(15)13-12-8/h1-5H,(H,12,14)(H,13,15)
InChIKeyTUBNNPCYSWXMBQ-UHFFFAOYSA-N
XLogP1.38
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-1,2-dihydropyridazine-3,4-dione?
The IUPAC name of 6-(4-chlorophenyl)-1,2-dihydropyridazine-3,4-dione (CID 790054) is 6-(4-chlorophenyl)-1,2-dihydropyridazine-3,4-dione.
What is the SMILES notation for 6-(4-chlorophenyl)-1,2-dihydropyridazine-3,4-dione?
The canonical SMILES for 6-(4-chlorophenyl)-1,2-dihydropyridazine-3,4-dione is O=c1cc(-c2ccc(Cl)cc2)[nH][nH]c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-1,2-dihydropyridazine-3,4-dione?
The InChIKey is TUBNNPCYSWXMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-7-3-1-6(2-4-7)8-5-9(14)10(15)13-12-8/h1-5H,(H,12,14)(H,13,15).
What are the key properties of 6-(4-chlorophenyl)-1,2-dihydropyridazine-3,4-dione?
6-(4-chlorophenyl)-1,2-dihydropyridazine-3,4-dione has a molecular weight of 222.63 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1,2-dihydropyridazine-3,4-dione is sourced from PubChem (CID 790054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).