3-(2-bromo-4-fluorophenoxy)-6-chloro-4,5-dimethylpyridazine

C12H9BrClFN2O — CID 55168907

IUPAC3-(2-bromo-4-fluorophenoxy)-6-chloro-4,5-dimethylpyridazine
SMILESCc1c(Cl)nnc(Oc2ccc(F)cc2Br)c1C
InChIInChI=1S/C12H9BrClFN2O/c1-6-7(2)12(17-16-11(6)14)18-10-4-3-8(15)5-9(10)13/h3-5H,1-2H3
InChIKeyWUHSECODRFXWHB-UHFFFAOYSA-N
MW331.57 g/mol
LogP4.44
Rot. Bonds2

About 3-(2-bromo-4-fluorophenoxy)-6-chloro-4,5-dimethylpyridazine

3-(2-bromo-4-fluorophenoxy)-6-chloro-4,5-dimethylpyridazine (PubChem CID 55168907) has the molecular formula C12H9BrClFN2O and a molecular weight of 331.57 g/mol. Its IUPAC name is 3-(2-bromo-4-fluorophenoxy)-6-chloro-4,5-dimethylpyridazine.

Molecular Properties

Compound Name3-(2-bromo-4-fluorophenoxy)-6-chloro-4,5-dimethylpyridazine
PubChem CID55168907
Molecular FormulaC12H9BrClFN2O
Molecular Weight331.57 g/mol
Exact Mass329.96
IUPAC Name3-(2-bromo-4-fluorophenoxy)-6-chloro-4,5-dimethylpyridazine
SMILESCc1c(Cl)nnc(Oc2ccc(F)cc2Br)c1C
InChIInChI=1S/C12H9BrClFN2O/c1-6-7(2)12(17-16-11(6)14)18-10-4-3-8(15)5-9(10)13/h3-5H,1-2H3
InChIKeyWUHSECODRFXWHB-UHFFFAOYSA-N
XLogP4.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.57
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-(5-fluoro-2-methylphenoxy)-4,5-dimethylpyridazine
CID 102981541
3-chloro-6-(4-fluorophenoxy)-4,5-dimethylpyridazine
CID 55168912
3-chloro-6-(2,4-dichlorophenoxy)-4,5-dimethylpyridazine
CID 55168913
3-chloro-6-(2,6-dimethoxyphenoxy)-4,5-dimethylpyridazine
CID 63271828
3-chloro-6-(2-ethoxyphenoxy)-4,5-dimethylpyridazine
CID 63271999
2-(2-bromo-4-fluorophenoxy)-6-chloropyridine
CID 60725991
5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine
CID 114869079
[3-(2-bromo-4-fluorophenoxy)-5,6-diethylpyridazin-4-yl]methanamine
CID 80508317
6-(2-bromo-4-fluorophenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
CID 80988471
6-(2-bromo-4-fluorophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80862655
[3-(2-bromo-4-fluorophenoxy)pyridazin-4-yl]methanamine
CID 80507794
3-(2-bromo-4-fluorophenoxy)pyrazine-2-carboxamide
CID 55103097

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluorophenoxy)-6-chloro-4,5-dimethylpyridazine?
The IUPAC name of 3-(2-bromo-4-fluorophenoxy)-6-chloro-4,5-dimethylpyridazine (CID 55168907) is 3-(2-bromo-4-fluorophenoxy)-6-chloro-4,5-dimethylpyridazine.
What is the SMILES notation for 3-(2-bromo-4-fluorophenoxy)-6-chloro-4,5-dimethylpyridazine?
The canonical SMILES for 3-(2-bromo-4-fluorophenoxy)-6-chloro-4,5-dimethylpyridazine is Cc1c(Cl)nnc(Oc2ccc(F)cc2Br)c1C.
What is the InChIKey of 3-(2-bromo-4-fluorophenoxy)-6-chloro-4,5-dimethylpyridazine?
The InChIKey is WUHSECODRFXWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O/c1-6-7(2)12(17-16-11(6)14)18-10-4-3-8(15)5-9(10)13/h3-5H,1-2H3.
What are the key properties of 3-(2-bromo-4-fluorophenoxy)-6-chloro-4,5-dimethylpyridazine?
3-(2-bromo-4-fluorophenoxy)-6-chloro-4,5-dimethylpyridazine has a molecular weight of 331.57 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluorophenoxy)-6-chloro-4,5-dimethylpyridazine is sourced from PubChem (CID 55168907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).