3-chloro-6-[(2,4-dichlorophenyl)methyl]pyridazine

C11H7Cl3N2 — CID 6418723

IUPAC3-chloro-6-[(2,4-dichlorophenyl)methyl]pyridazine
SMILESClc1ccc(Cc2ccc(Cl)nn2)c(Cl)c1
InChIInChI=1S/C11H7Cl3N2/c12-8-2-1-7(10(13)6-8)5-9-3-4-11(14)16-15-9/h1-4,6H,5H2
InChIKeySIKKNLLCEHLQMS-UHFFFAOYSA-N
MW273.55 g/mol
LogP4.03
Rot. Bonds2

About 3-chloro-6-[(2,4-dichlorophenyl)methyl]pyridazine

3-chloro-6-[(2,4-dichlorophenyl)methyl]pyridazine (PubChem CID 6418723) has the molecular formula C11H7Cl3N2 and a molecular weight of 273.55 g/mol. Its IUPAC name is 3-chloro-6-[(2,4-dichlorophenyl)methyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(2,4-dichlorophenyl)methyl]pyridazine
PubChem CID6418723
Molecular FormulaC11H7Cl3N2
Molecular Weight273.55 g/mol
Exact Mass271.97
IUPAC Name3-chloro-6-[(2,4-dichlorophenyl)methyl]pyridazine
SMILESClc1ccc(Cc2ccc(Cl)nn2)c(Cl)c1
InChIInChI=1S/C11H7Cl3N2/c12-8-2-1-7(10(13)6-8)5-9-3-4-11(14)16-15-9/h1-4,6H,5H2
InChIKeySIKKNLLCEHLQMS-UHFFFAOYSA-N
XLogP4.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.55
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(2,4-dichlorophenyl)methyl]pyridazine?
The IUPAC name of 3-chloro-6-[(2,4-dichlorophenyl)methyl]pyridazine (CID 6418723) is 3-chloro-6-[(2,4-dichlorophenyl)methyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(2,4-dichlorophenyl)methyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(2,4-dichlorophenyl)methyl]pyridazine is Clc1ccc(Cc2ccc(Cl)nn2)c(Cl)c1.
What is the InChIKey of 3-chloro-6-[(2,4-dichlorophenyl)methyl]pyridazine?
The InChIKey is SIKKNLLCEHLQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2/c12-8-2-1-7(10(13)6-8)5-9-3-4-11(14)16-15-9/h1-4,6H,5H2.
What are the key properties of 3-chloro-6-[(2,4-dichlorophenyl)methyl]pyridazine?
3-chloro-6-[(2,4-dichlorophenyl)methyl]pyridazine has a molecular weight of 273.55 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(2,4-dichlorophenyl)methyl]pyridazine is sourced from PubChem (CID 6418723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).