3,6-bis(chloromethyl)pyridazine

C6H6Cl2N2 — CID 68584328

IUPAC3,6-bis(chloromethyl)pyridazine
SMILESClCc1ccc(CCl)nn1
InChIInChI=1S/C6H6Cl2N2/c7-3-5-1-2-6(4-8)10-9-5/h1-2H,3-4H2
InChIKeyCUKUKGYBNWLKHV-UHFFFAOYSA-N
MW177.03 g/mol
LogP1.95
Rot. Bonds2

About 3,6-bis(chloromethyl)pyridazine

3,6-bis(chloromethyl)pyridazine (PubChem CID 68584328) has the molecular formula C6H6Cl2N2 and a molecular weight of 177.03 g/mol. Its IUPAC name is 3,6-bis(chloromethyl)pyridazine.

Molecular Properties

Compound Name3,6-bis(chloromethyl)pyridazine
PubChem CID68584328
Molecular FormulaC6H6Cl2N2
Molecular Weight177.03 g/mol
Exact Mass175.99
IUPAC Name3,6-bis(chloromethyl)pyridazine
SMILESClCc1ccc(CCl)nn1
InChIInChI=1S/C6H6Cl2N2/c7-3-5-1-2-6(4-8)10-9-5/h1-2H,3-4H2
InChIKeyCUKUKGYBNWLKHV-UHFFFAOYSA-N
XLogP1.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.03
LogP ≤ 51.95
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 3,6-bis(chloromethyl)pyridazine?
The IUPAC name of 3,6-bis(chloromethyl)pyridazine (CID 68584328) is 3,6-bis(chloromethyl)pyridazine.
What is the SMILES notation for 3,6-bis(chloromethyl)pyridazine?
The canonical SMILES for 3,6-bis(chloromethyl)pyridazine is ClCc1ccc(CCl)nn1.
What is the InChIKey of 3,6-bis(chloromethyl)pyridazine?
The InChIKey is CUKUKGYBNWLKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2/c7-3-5-1-2-6(4-8)10-9-5/h1-2H,3-4H2.
What are the key properties of 3,6-bis(chloromethyl)pyridazine?
3,6-bis(chloromethyl)pyridazine has a molecular weight of 177.03 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(chloromethyl)pyridazine is sourced from PubChem (CID 68584328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).