3-chloro-6-[(3-chlorophenyl)methyl]pyridazine

C11H8Cl2N2 — CID 6404590

IUPAC3-chloro-6-[(3-chlorophenyl)methyl]pyridazine
SMILESClc1cccc(Cc2ccc(Cl)nn2)c1
InChIInChI=1S/C11H8Cl2N2/c12-9-3-1-2-8(6-9)7-10-4-5-11(13)15-14-10/h1-6H,7H2
InChIKeySMSDFABNYCHKHT-UHFFFAOYSA-N
MW239.11 g/mol
LogP3.37
Rot. Bonds2

About 3-chloro-6-[(3-chlorophenyl)methyl]pyridazine

3-chloro-6-[(3-chlorophenyl)methyl]pyridazine (PubChem CID 6404590) has the molecular formula C11H8Cl2N2 and a molecular weight of 239.11 g/mol. Its IUPAC name is 3-chloro-6-[(3-chlorophenyl)methyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(3-chlorophenyl)methyl]pyridazine
PubChem CID6404590
Molecular FormulaC11H8Cl2N2
Molecular Weight239.11 g/mol
Exact Mass238.01
IUPAC Name3-chloro-6-[(3-chlorophenyl)methyl]pyridazine
SMILESClc1cccc(Cc2ccc(Cl)nn2)c1
InChIInChI=1S/C11H8Cl2N2/c12-9-3-1-2-8(6-9)7-10-4-5-11(13)15-14-10/h1-6H,7H2
InChIKeySMSDFABNYCHKHT-UHFFFAOYSA-N
XLogP3.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(3-chlorophenyl)methyl]pyridazine?
The IUPAC name of 3-chloro-6-[(3-chlorophenyl)methyl]pyridazine (CID 6404590) is 3-chloro-6-[(3-chlorophenyl)methyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(3-chlorophenyl)methyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(3-chlorophenyl)methyl]pyridazine is Clc1cccc(Cc2ccc(Cl)nn2)c1.
What is the InChIKey of 3-chloro-6-[(3-chlorophenyl)methyl]pyridazine?
The InChIKey is SMSDFABNYCHKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2/c12-9-3-1-2-8(6-9)7-10-4-5-11(13)15-14-10/h1-6H,7H2.
What are the key properties of 3-chloro-6-[(3-chlorophenyl)methyl]pyridazine?
3-chloro-6-[(3-chlorophenyl)methyl]pyridazine has a molecular weight of 239.11 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(3-chlorophenyl)methyl]pyridazine is sourced from PubChem (CID 6404590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).