2-acetyl-4,5-dichloropyridazin-3-one

C6H4Cl2N2O2 — CID 3025879

IUPAC2-acetyl-4,5-dichloropyridazin-3-one
SMILESCC(=O)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C6H4Cl2N2O2/c1-3(11)10-6(12)5(8)4(7)2-9-10/h2H,1H3
InChIKeyRFVTVWCEUKOOFY-UHFFFAOYSA-N
MW207.02 g/mol
LogP1.21
Rot. Bonds

About 2-acetyl-4,5-dichloropyridazin-3-one

2-acetyl-4,5-dichloropyridazin-3-one (PubChem CID 3025879) has the molecular formula C6H4Cl2N2O2 and a molecular weight of 207.02 g/mol. Its IUPAC name is 2-acetyl-4,5-dichloropyridazin-3-one.

Molecular Properties

Compound Name2-acetyl-4,5-dichloropyridazin-3-one
PubChem CID3025879
Molecular FormulaC6H4Cl2N2O2
Molecular Weight207.02 g/mol
Exact Mass205.96
IUPAC Name2-acetyl-4,5-dichloropyridazin-3-one
SMILESCC(=O)n1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C6H4Cl2N2O2/c1-3(11)10-6(12)5(8)4(7)2-9-10/h2H,1H3
InChIKeyRFVTVWCEUKOOFY-UHFFFAOYSA-N
XLogP1.21
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.02
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-4,5-dichloropyridazin-3-one?
The IUPAC name of 2-acetyl-4,5-dichloropyridazin-3-one (CID 3025879) is 2-acetyl-4,5-dichloropyridazin-3-one.
What is the SMILES notation for 2-acetyl-4,5-dichloropyridazin-3-one?
The canonical SMILES for 2-acetyl-4,5-dichloropyridazin-3-one is CC(=O)n1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-acetyl-4,5-dichloropyridazin-3-one?
The InChIKey is RFVTVWCEUKOOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N2O2/c1-3(11)10-6(12)5(8)4(7)2-9-10/h2H,1H3.
What are the key properties of 2-acetyl-4,5-dichloropyridazin-3-one?
2-acetyl-4,5-dichloropyridazin-3-one has a molecular weight of 207.02 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-4,5-dichloropyridazin-3-one is sourced from PubChem (CID 3025879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).