4,5-dichloro-2-(6-chlorooxan-2-yl)pyridazin-3-one

C9H9Cl3N2O2 — CID 67835723

IUPAC4,5-dichloro-2-(6-chlorooxan-2-yl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1C1CCCC(Cl)O1
InChIInChI=1S/C9H9Cl3N2O2/c10-5-4-13-14(9(15)8(5)12)7-3-1-2-6(11)16-7/h4,6-7H,1-3H2
InChIKeyANIPDFLOGAMQGH-UHFFFAOYSA-N
MW283.54 g/mol
LogP2.81
Rot. Bonds1

About 4,5-dichloro-2-(6-chlorooxan-2-yl)pyridazin-3-one

4,5-dichloro-2-(6-chlorooxan-2-yl)pyridazin-3-one (PubChem CID 67835723) has the molecular formula C9H9Cl3N2O2 and a molecular weight of 283.54 g/mol. Its IUPAC name is 4,5-dichloro-2-(6-chlorooxan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(6-chlorooxan-2-yl)pyridazin-3-one
PubChem CID67835723
Molecular FormulaC9H9Cl3N2O2
Molecular Weight283.54 g/mol
Exact Mass281.97
IUPAC Name4,5-dichloro-2-(6-chlorooxan-2-yl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1C1CCCC(Cl)O1
InChIInChI=1S/C9H9Cl3N2O2/c10-5-4-13-14(9(15)8(5)12)7-3-1-2-6(11)16-7/h4,6-7H,1-3H2
InChIKeyANIPDFLOGAMQGH-UHFFFAOYSA-N
XLogP2.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.54
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4,5-dichloro-2-(6-chlorooxan-2-yl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(6-chlorooxan-2-yl)pyridazin-3-one (CID 67835723) is 4,5-dichloro-2-(6-chlorooxan-2-yl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(6-chlorooxan-2-yl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(6-chlorooxan-2-yl)pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1C1CCCC(Cl)O1.
What is the InChIKey of 4,5-dichloro-2-(6-chlorooxan-2-yl)pyridazin-3-one?
The InChIKey is ANIPDFLOGAMQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl3N2O2/c10-5-4-13-14(9(15)8(5)12)7-3-1-2-6(11)16-7/h4,6-7H,1-3H2.
What are the key properties of 4,5-dichloro-2-(6-chlorooxan-2-yl)pyridazin-3-one?
4,5-dichloro-2-(6-chlorooxan-2-yl)pyridazin-3-one has a molecular weight of 283.54 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(6-chlorooxan-2-yl)pyridazin-3-one is sourced from PubChem (CID 67835723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).