3-chloro-6-(chloromethyl)pyridazine

C5H4Cl2N2 — CID 22498639

IUPAC3-chloro-6-(chloromethyl)pyridazine
SMILESClCc1ccc(Cl)nn1
InChIInChI=1S/C5H4Cl2N2/c6-3-4-1-2-5(7)9-8-4/h1-2H,3H2
InChIKeyXWFUSBPVIYJBML-UHFFFAOYSA-N
MW163.01 g/mol
LogP1.87
Rot. Bonds1

About 3-chloro-6-(chloromethyl)pyridazine

3-chloro-6-(chloromethyl)pyridazine (PubChem CID 22498639) has the molecular formula C5H4Cl2N2 and a molecular weight of 163.01 g/mol. Its IUPAC name is 3-chloro-6-(chloromethyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(chloromethyl)pyridazine
PubChem CID22498639
Molecular FormulaC5H4Cl2N2
Molecular Weight163.01 g/mol
Exact Mass161.98
IUPAC Name3-chloro-6-(chloromethyl)pyridazine
SMILESClCc1ccc(Cl)nn1
InChIInChI=1S/C5H4Cl2N2/c6-3-4-1-2-5(7)9-8-4/h1-2H,3H2
InChIKeyXWFUSBPVIYJBML-UHFFFAOYSA-N
XLogP1.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.01
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-chloro-6-(chloromethyl)pyridazine?
The IUPAC name of 3-chloro-6-(chloromethyl)pyridazine (CID 22498639) is 3-chloro-6-(chloromethyl)pyridazine.
What is the SMILES notation for 3-chloro-6-(chloromethyl)pyridazine?
The canonical SMILES for 3-chloro-6-(chloromethyl)pyridazine is ClCc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-(chloromethyl)pyridazine?
The InChIKey is XWFUSBPVIYJBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2/c6-3-4-1-2-5(7)9-8-4/h1-2H,3H2.
What are the key properties of 3-chloro-6-(chloromethyl)pyridazine?
3-chloro-6-(chloromethyl)pyridazine has a molecular weight of 163.01 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(chloromethyl)pyridazine is sourced from PubChem (CID 22498639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).