6-chloro-2-(2-chloroethyl)pyridazin-3-one

C6H6Cl2N2O — CID 14343582

IUPAC6-chloro-2-(2-chloroethyl)pyridazin-3-one
SMILESO=c1ccc(Cl)nn1CCCl
InChIInChI=1S/C6H6Cl2N2O/c7-3-4-10-6(11)2-1-5(8)9-10/h1-2H,3-4H2
InChIKeyVNJVDPGYPJUPIR-UHFFFAOYSA-N
MW193.03 g/mol
LogP1.14
Rot. Bonds2

About 6-chloro-2-(2-chloroethyl)pyridazin-3-one

6-chloro-2-(2-chloroethyl)pyridazin-3-one (PubChem CID 14343582) has the molecular formula C6H6Cl2N2O and a molecular weight of 193.03 g/mol. Its IUPAC name is 6-chloro-2-(2-chloroethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-(2-chloroethyl)pyridazin-3-one
PubChem CID14343582
Molecular FormulaC6H6Cl2N2O
Molecular Weight193.03 g/mol
Exact Mass191.99
IUPAC Name6-chloro-2-(2-chloroethyl)pyridazin-3-one
SMILESO=c1ccc(Cl)nn1CCCl
InChIInChI=1S/C6H6Cl2N2O/c7-3-4-10-6(11)2-1-5(8)9-10/h1-2H,3-4H2
InChIKeyVNJVDPGYPJUPIR-UHFFFAOYSA-N
XLogP1.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.03
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-chloroethyl)pyridazin-3-one?
The IUPAC name of 6-chloro-2-(2-chloroethyl)pyridazin-3-one (CID 14343582) is 6-chloro-2-(2-chloroethyl)pyridazin-3-one.
What is the SMILES notation for 6-chloro-2-(2-chloroethyl)pyridazin-3-one?
The canonical SMILES for 6-chloro-2-(2-chloroethyl)pyridazin-3-one is O=c1ccc(Cl)nn1CCCl.
What is the InChIKey of 6-chloro-2-(2-chloroethyl)pyridazin-3-one?
The InChIKey is VNJVDPGYPJUPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O/c7-3-4-10-6(11)2-1-5(8)9-10/h1-2H,3-4H2.
What are the key properties of 6-chloro-2-(2-chloroethyl)pyridazin-3-one?
6-chloro-2-(2-chloroethyl)pyridazin-3-one has a molecular weight of 193.03 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-chloroethyl)pyridazin-3-one is sourced from PubChem (CID 14343582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).