3-chloro-6-(2,5-dibromo-4-methoxyphenoxy)pyridazine

C11H7Br2ClN2O2 — CID 79416501

IUPAC3-chloro-6-(2,5-dibromo-4-methoxyphenoxy)pyridazine
SMILESCOc1cc(Br)c(Oc2ccc(Cl)nn2)cc1Br
InChIInChI=1S/C11H7Br2ClN2O2/c1-17-8-4-7(13)9(5-6(8)12)18-11-3-2-10(14)15-16-11/h2-5H,1H3
InChIKeyCKWIBMAHKQRUTG-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.46
Rot. Bonds3

About 3-chloro-6-(2,5-dibromo-4-methoxyphenoxy)pyridazine

3-chloro-6-(2,5-dibromo-4-methoxyphenoxy)pyridazine (PubChem CID 79416501) has the molecular formula C11H7Br2ClN2O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 3-chloro-6-(2,5-dibromo-4-methoxyphenoxy)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(2,5-dibromo-4-methoxyphenoxy)pyridazine
PubChem CID79416501
Molecular FormulaC11H7Br2ClN2O2
Molecular Weight394.45 g/mol
Exact Mass391.86
IUPAC Name3-chloro-6-(2,5-dibromo-4-methoxyphenoxy)pyridazine
SMILESCOc1cc(Br)c(Oc2ccc(Cl)nn2)cc1Br
InChIInChI=1S/C11H7Br2ClN2O2/c1-17-8-4-7(13)9(5-6(8)12)18-11-3-2-10(14)15-16-11/h2-5H,1H3
InChIKeyCKWIBMAHKQRUTG-UHFFFAOYSA-N
XLogP4.46
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-4-methoxyphenoxy)-6-chloropyridazine
CID 87574590
3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine
CID 102714042
3-chloro-6-(3-methoxyphenoxy)pyridazine
CID 13321729
3-chloro-6-(2,5-dimethylphenoxy)pyridazine
CID 60675027
2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine
CID 83269021
1,4-dibromo-2-chloro-5-methoxybenzene
CID 50997851
3-chloro-4-(6-chloropyridazin-3-yl)oxyaniline
CID 130155682
3-chloro-6-(2-propan-2-ylphenoxy)pyridazine
CID 54915404
[6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine
CID 104708330
[6-(2,5-dibromo-4-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80924928
1,4-dibromo-2-[4-(bromomethyl)-2-chlorophenoxy]-5-methoxybenzene
CID 107088808
3-chloro-6-naphthalen-1-yloxypyridazine
CID 54915223

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,5-dibromo-4-methoxyphenoxy)pyridazine?
The IUPAC name of 3-chloro-6-(2,5-dibromo-4-methoxyphenoxy)pyridazine (CID 79416501) is 3-chloro-6-(2,5-dibromo-4-methoxyphenoxy)pyridazine.
What is the SMILES notation for 3-chloro-6-(2,5-dibromo-4-methoxyphenoxy)pyridazine?
The canonical SMILES for 3-chloro-6-(2,5-dibromo-4-methoxyphenoxy)pyridazine is COc1cc(Br)c(Oc2ccc(Cl)nn2)cc1Br.
What is the InChIKey of 3-chloro-6-(2,5-dibromo-4-methoxyphenoxy)pyridazine?
The InChIKey is CKWIBMAHKQRUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2ClN2O2/c1-17-8-4-7(13)9(5-6(8)12)18-11-3-2-10(14)15-16-11/h2-5H,1H3.
What are the key properties of 3-chloro-6-(2,5-dibromo-4-methoxyphenoxy)pyridazine?
3-chloro-6-(2,5-dibromo-4-methoxyphenoxy)pyridazine has a molecular weight of 394.45 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,5-dibromo-4-methoxyphenoxy)pyridazine is sourced from PubChem (CID 79416501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).