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

C12H7BrClF3N2O2 — CID 102714410

IUPAC3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-6-chloropyridazine
SMILESFC(F)(F)Oc1ccc(OCc2ccc(Cl)nn2)cc1Br
InChIInChI=1S/C12H7BrClF3N2O2/c13-9-5-8(2-3-10(9)21-12(15,16)17)20-6-7-1-4-11(14)19-18-7/h1-5H,6H2
InChIKeyRYDDLPBPUMIJHB-UHFFFAOYSA-N
MW383.55 g/mol
LogP4.37
Rot. Bonds4

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

3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-6-chloropyridazine (PubChem CID 102714410) has the molecular formula C12H7BrClF3N2O2 and a molecular weight of 383.55 g/mol. Its IUPAC name is 3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-6-chloropyridazine.

Molecular Properties

Compound Name3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-6-chloropyridazine
PubChem CID102714410
Molecular FormulaC12H7BrClF3N2O2
Molecular Weight383.55 g/mol
Exact Mass381.93
IUPAC Name3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-6-chloropyridazine
SMILESFC(F)(F)Oc1ccc(OCc2ccc(Cl)nn2)cc1Br
InChIInChI=1S/C12H7BrClF3N2O2/c13-9-5-8(2-3-10(9)21-12(15,16)17)20-6-7-1-4-11(14)19-18-7/h1-5H,6H2
InChIKeyRYDDLPBPUMIJHB-UHFFFAOYSA-N
XLogP4.37
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.55
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine
CID 102714042
2-bromo-4-[(3-chlorophenyl)methoxy]-1-(trifluoromethoxy)benzene
CID 102714778
3-chloro-6-[(4-chloro-3-fluorophenoxy)methyl]pyridazine
CID 104514281
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2-methyltetrazole
CID 107043127
2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol
CID 102674568
2-bromo-4-heptoxy-1-(trifluoromethoxy)benzene
CID 102714644
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-amine
CID 102714952
3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol
CID 102674553
2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-4-methyl-1,3-thiazole
CID 102714697
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridine
CID 102714502
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-3-ethyl-1,2,4-oxadiazole
CID 102674590
3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-5-ethyl-1,2,4-oxadiazole
CID 102674600

Frequently Asked Questions

What is the IUPAC name of 3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-6-chloropyridazine?
The IUPAC name of 3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-6-chloropyridazine (CID 102714410) is 3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-6-chloropyridazine.
What is the SMILES notation for 3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-6-chloropyridazine?
The canonical SMILES for 3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-6-chloropyridazine is FC(F)(F)Oc1ccc(OCc2ccc(Cl)nn2)cc1Br.
What is the InChIKey of 3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-6-chloropyridazine?
The InChIKey is RYDDLPBPUMIJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF3N2O2/c13-9-5-8(2-3-10(9)21-12(15,16)17)20-6-7-1-4-11(14)19-18-7/h1-5H,6H2.
What are the key properties of 3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-6-chloropyridazine?
3-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-6-chloropyridazine has a molecular weight of 383.55 g/mol, XLogP of 4.37, 4 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]methyl]-6-chloropyridazine is sourced from PubChem (CID 102714410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).