3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine

C11H7Cl3N2O — CID 104514067

IUPAC3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine
SMILESClc1ccc(Cl)c(OCc2ccc(Cl)nn2)c1
InChIInChI=1S/C11H7Cl3N2O/c12-7-1-3-9(13)10(5-7)17-6-8-2-4-11(14)16-15-8/h1-5H,6H2
InChIKeyMFUMLDPZPHNTEK-UHFFFAOYSA-N
MW289.55 g/mol
LogP4.02
Rot. Bonds3

About 3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine

3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine (PubChem CID 104514067) has the molecular formula C11H7Cl3N2O and a molecular weight of 289.55 g/mol. Its IUPAC name is 3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine
PubChem CID104514067
Molecular FormulaC11H7Cl3N2O
Molecular Weight289.55 g/mol
Exact Mass287.96
IUPAC Name3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine
SMILESClc1ccc(Cl)c(OCc2ccc(Cl)nn2)c1
InChIInChI=1S/C11H7Cl3N2O/c12-7-1-3-9(13)10(5-7)17-6-8-2-4-11(14)16-15-8/h1-5H,6H2
InChIKeyMFUMLDPZPHNTEK-UHFFFAOYSA-N
XLogP4.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.55
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(2,5-dichlorophenoxy)methyl]pyrazine
CID 103054688
3-chloro-6-[(2,4,6-trichlorophenoxy)methyl]pyridazine
CID 104514161
3-chloro-6-[(4-chloro-3-fluorophenoxy)methyl]pyridazine
CID 104514281
3-chloro-6-[(2-iodophenoxy)methyl]pyridazine
CID 104514189
3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole
CID 78807744
[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine
CID 22688669
3-chloro-6-[(2-methoxy-4-methylphenoxy)methyl]pyridazine
CID 113421381
2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110656023
3-[(2,5-dichlorophenoxy)methyl]-1-propan-2-ylpyrazole
CID 78967539
[4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine
CID 63881091
3-chloro-6-[(2-methylsulfanylphenoxy)methyl]pyridazine
CID 104514236
1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene
CID 154157151

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine?
The IUPAC name of 3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine (CID 104514067) is 3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine is Clc1ccc(Cl)c(OCc2ccc(Cl)nn2)c1.
What is the InChIKey of 3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine?
The InChIKey is MFUMLDPZPHNTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2O/c12-7-1-3-9(13)10(5-7)17-6-8-2-4-11(14)16-15-8/h1-5H,6H2.
What are the key properties of 3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine?
3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine has a molecular weight of 289.55 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine is sourced from PubChem (CID 104514067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).