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

C11H6Cl4N2O — CID 104514161

IUPAC3-chloro-6-[(2,4,6-trichlorophenoxy)methyl]pyridazine
SMILESClc1cc(Cl)c(OCc2ccc(Cl)nn2)c(Cl)c1
InChIInChI=1S/C11H6Cl4N2O/c12-6-3-8(13)11(9(14)4-6)18-5-7-1-2-10(15)17-16-7/h1-4H,5H2
InChIKeyWJUKHPNTGHSLQC-UHFFFAOYSA-N
MW323.99 g/mol
LogP4.67
Rot. Bonds3

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

3-chloro-6-[(2,4,6-trichlorophenoxy)methyl]pyridazine (PubChem CID 104514161) has the molecular formula C11H6Cl4N2O and a molecular weight of 323.99 g/mol. Its IUPAC name is 3-chloro-6-[(2,4,6-trichlorophenoxy)methyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(2,4,6-trichlorophenoxy)methyl]pyridazine
PubChem CID104514161
Molecular FormulaC11H6Cl4N2O
Molecular Weight323.99 g/mol
Exact Mass321.92
IUPAC Name3-chloro-6-[(2,4,6-trichlorophenoxy)methyl]pyridazine
SMILESClc1cc(Cl)c(OCc2ccc(Cl)nn2)c(Cl)c1
InChIInChI=1S/C11H6Cl4N2O/c12-6-3-8(13)11(9(14)4-6)18-5-7-1-2-10(15)17-16-7/h1-4H,5H2
InChIKeyWJUKHPNTGHSLQC-UHFFFAOYSA-N
XLogP4.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.99
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine
CID 104514067
3-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-6-chloropyridazine
CID 104514186
3-chloro-6-[(4-chloro-3-fluorophenoxy)methyl]pyridazine
CID 104514281
[4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine
CID 22688679
3-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-6-chloropyridazine
CID 104514187
N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]pyrazin-2-amine
CID 103058486
5-bromo-2-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]pyridine
CID 104799100
3-chloro-6-[(2-methylsulfanylphenoxy)methyl]pyridazine
CID 104514236
3-chloro-6-(iodomethyl)pyridazine
CID 88576373
2-[(2,4,6-trichlorophenoxy)methyl]furan
CID 53443486
1,3,5-trichloro-2-(6-chlorohexoxy)benzene
CID 63500210
3-chloro-6-[(4-methyl-2-nitrophenoxy)methyl]pyridazine
CID 104514208

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(2,4,6-trichlorophenoxy)methyl]pyridazine?
The IUPAC name of 3-chloro-6-[(2,4,6-trichlorophenoxy)methyl]pyridazine (CID 104514161) is 3-chloro-6-[(2,4,6-trichlorophenoxy)methyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(2,4,6-trichlorophenoxy)methyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(2,4,6-trichlorophenoxy)methyl]pyridazine is Clc1cc(Cl)c(OCc2ccc(Cl)nn2)c(Cl)c1.
What is the InChIKey of 3-chloro-6-[(2,4,6-trichlorophenoxy)methyl]pyridazine?
The InChIKey is WJUKHPNTGHSLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl4N2O/c12-6-3-8(13)11(9(14)4-6)18-5-7-1-2-10(15)17-16-7/h1-4H,5H2.
What are the key properties of 3-chloro-6-[(2,4,6-trichlorophenoxy)methyl]pyridazine?
3-chloro-6-[(2,4,6-trichlorophenoxy)methyl]pyridazine has a molecular weight of 323.99 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(2,4,6-trichlorophenoxy)methyl]pyridazine is sourced from PubChem (CID 104514161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).