4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one

C7H6Cl2N2O2 — CID 5260661

IUPAC4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one
SMILESCC(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H6Cl2N2O2/c1-4(12)3-11-7(13)6(9)5(8)2-10-11/h2H,3H2,1H3
InChIKeySANUBZIVOXVSHK-UHFFFAOYSA-N
MW221.04 g/mol
LogP1.14
Rot. Bonds2

About 4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one

4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one (PubChem CID 5260661) has the molecular formula C7H6Cl2N2O2 and a molecular weight of 221.04 g/mol. Its IUPAC name is 4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one
PubChem CID5260661
Molecular FormulaC7H6Cl2N2O2
Molecular Weight221.04 g/mol
Exact Mass219.98
IUPAC Name4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one
SMILESCC(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H6Cl2N2O2/c1-4(12)3-11-7(13)6(9)5(8)2-10-11/h2H,3H2,1H3
InChIKeySANUBZIVOXVSHK-UHFFFAOYSA-N
XLogP1.14
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one (CID 5260661) is 4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one is CC(=O)Cn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one?
The InChIKey is SANUBZIVOXVSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2/c1-4(12)3-11-7(13)6(9)5(8)2-10-11/h2H,3H2,1H3.
What are the key properties of 4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one?
4,5-dichloro-2-(2-oxopropyl)pyridazin-3-one has a molecular weight of 221.04 g/mol, XLogP of 1.14, 2 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-oxopropyl)pyridazin-3-one is sourced from PubChem (CID 5260661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).