3-chloro-6-(chloromethyl)-1,2-dihydropyridazine

C5H6Cl2N2 — CID 155051536

IUPAC3-chloro-6-(chloromethyl)-1,2-dihydropyridazine
SMILESClCC1=CC=C(Cl)NN1
InChIInChI=1S/C5H6Cl2N2/c6-3-4-1-2-5(7)9-8-4/h1-2,8-9H,3H2
InChIKeyXXWNZHYPJPIWNB-UHFFFAOYSA-N
MW165.02 g/mol
LogP1.30
Rot. Bonds1

About 3-chloro-6-(chloromethyl)-1,2-dihydropyridazine

3-chloro-6-(chloromethyl)-1,2-dihydropyridazine (PubChem CID 155051536) has the molecular formula C5H6Cl2N2 and a molecular weight of 165.02 g/mol. Its IUPAC name is 3-chloro-6-(chloromethyl)-1,2-dihydropyridazine.

Molecular Properties

Compound Name3-chloro-6-(chloromethyl)-1,2-dihydropyridazine
PubChem CID155051536
Molecular FormulaC5H6Cl2N2
Molecular Weight165.02 g/mol
Exact Mass163.99
IUPAC Name3-chloro-6-(chloromethyl)-1,2-dihydropyridazine
SMILESClCC1=CC=C(Cl)NN1
InChIInChI=1S/C5H6Cl2N2/c6-3-4-1-2-5(7)9-8-4/h1-2,8-9H,3H2
InChIKeyXXWNZHYPJPIWNB-UHFFFAOYSA-N
XLogP1.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.02
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(chloromethyl)-1,2-dihydropyridazine?
The IUPAC name of 3-chloro-6-(chloromethyl)-1,2-dihydropyridazine (CID 155051536) is 3-chloro-6-(chloromethyl)-1,2-dihydropyridazine.
What is the SMILES notation for 3-chloro-6-(chloromethyl)-1,2-dihydropyridazine?
The canonical SMILES for 3-chloro-6-(chloromethyl)-1,2-dihydropyridazine is ClCC1=CC=C(Cl)NN1.
What is the InChIKey of 3-chloro-6-(chloromethyl)-1,2-dihydropyridazine?
The InChIKey is XXWNZHYPJPIWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N2/c6-3-4-1-2-5(7)9-8-4/h1-2,8-9H,3H2.
What are the key properties of 3-chloro-6-(chloromethyl)-1,2-dihydropyridazine?
3-chloro-6-(chloromethyl)-1,2-dihydropyridazine has a molecular weight of 165.02 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(chloromethyl)-1,2-dihydropyridazine is sourced from PubChem (CID 155051536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).