3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine

C11H5BrClF3N2O2 — CID 102714042

IUPAC3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine
SMILESFC(F)(F)Oc1ccc(Oc2ccc(Cl)nn2)cc1Br
InChIInChI=1S/C11H5BrClF3N2O2/c12-7-5-6(1-2-8(7)20-11(14,15)16)19-10-4-3-9(13)17-18-10/h1-5H
InChIKeyDQLZWFWNJWXLGC-UHFFFAOYSA-N
MW369.52 g/mol
LogP4.58
Rot. Bonds3

About 3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine

3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine (PubChem CID 102714042) has the molecular formula C11H5BrClF3N2O2 and a molecular weight of 369.52 g/mol. Its IUPAC name is 3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine.

Molecular Properties

Compound Name3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine
PubChem CID102714042
Molecular FormulaC11H5BrClF3N2O2
Molecular Weight369.52 g/mol
Exact Mass367.92
IUPAC Name3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine
SMILESFC(F)(F)Oc1ccc(Oc2ccc(Cl)nn2)cc1Br
InChIInChI=1S/C11H5BrClF3N2O2/c12-7-5-6(1-2-8(7)20-11(14,15)16)19-10-4-3-9(13)17-18-10/h1-5H
InChIKeyDQLZWFWNJWXLGC-UHFFFAOYSA-N
XLogP4.58
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-4-methoxyphenoxy)-6-chloropyridazine
CID 87574590
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridine
CID 102714502
3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-6-chloropyridazine
CID 102714410
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridin-3-amine
CID 102713947
3-chloro-6-[4-chloro-3-(trifluoromethyl)phenoxy]pyridazine
CID 154125386
3-chloro-6-(2,5-dibromo-4-methoxyphenoxy)pyridazine
CID 79416501
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-3,5-difluoropyridine
CID 102714035
3-chloro-6-(3-methoxyphenoxy)pyridazine
CID 13321729
4-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-methylpyridin-2-amine
CID 102715111
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-5-methylaniline
CID 102713939
[2-[3-bromo-4-(trifluoromethoxy)phenoxy]-1,3-oxazol-4-yl]methanamine
CID 102714960
[4-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-pyridinyl]methanol
CID 102714933

Frequently Asked Questions

What is the IUPAC name of 3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine?
The IUPAC name of 3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine (CID 102714042) is 3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine.
What is the SMILES notation for 3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine?
The canonical SMILES for 3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine is FC(F)(F)Oc1ccc(Oc2ccc(Cl)nn2)cc1Br.
What is the InChIKey of 3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine?
The InChIKey is DQLZWFWNJWXLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClF3N2O2/c12-7-5-6(1-2-8(7)20-11(14,15)16)19-10-4-3-9(13)17-18-10/h1-5H.
What are the key properties of 3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine?
3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine has a molecular weight of 369.52 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine is sourced from PubChem (CID 102714042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).