3-(4-Bromophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine

C18H12BrF3N2O — CID 76323852

IUPAC3-(4-bromophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
SMILESCC1=CC(=C(N=N1)OC2=CC=C(C=C2)Br)C3=CC(=CC=C3)C(F)(F)F
InChIInChI=1S/C18H12BrF3N2O/c1-11-9-16(12-3-2-4-13(10-12)18(20,21)22)17(24-23-11)25-15-7-5-14(19)6-8-15/h2-10H,1H3
InChIKeyQAVVJNSDYGGRDF-UHFFFAOYSA-N
MW409.20 g/mol
LogP5.30
Rot. Bonds3

About 3-(4-Bromophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine

3-(4-Bromophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine (PubChem CID 76323852) has the molecular formula C18H12BrF3N2O and a molecular weight of 409.20 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine.

Molecular Properties

Compound Name3-(4-Bromophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
PubChem CID76323852
Molecular FormulaC18H12BrF3N2O
Molecular Weight409.20 g/mol
Exact Mass408.01
IUPAC Name3-(4-bromophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
SMILESCC1=CC(=C(N=N1)OC2=CC=C(C=C2)Br)C3=CC(=CC=C3)C(F)(F)F
InChIInChI=1S/C18H12BrF3N2O/c1-11-9-16(12-3-2-4-13(10-12)18(20,21)22)17(24-23-11)25-15-7-5-14(19)6-8-15/h2-10H,1H3
InChIKeyQAVVJNSDYGGRDF-UHFFFAOYSA-N
XLogP5.30
TPSA35.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity429

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.20
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-Phenoxy-6-phenylpyridazine-4-carbonitrile
CID 6404526
6-Methyl-3-phenylmethoxy-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76320180
6-Methyl-3-phenoxy-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76334654
6-Heptyloxy-3,4-diphenyl-pyridazine
CID 11110783
3-(4-Chlorophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76312962
4-[6-Methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]oxybenzonitrile
CID 76312963
6-Methyl-3-[3-(trifluoromethyl)phenoxy]-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76312965
3-[(3-Fluorophenyl)methoxy]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76320181
3-(3-Bromophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76320197
6-Methyl-3-[(2-methylphenyl)methoxy]-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76323832
3-(3,5-Difluorophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76323851
3-[(2-Bromophenyl)methoxy]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76327392

Frequently Asked Questions

What is the IUPAC name of 3-(4-Bromophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine?
The IUPAC name of 3-(4-Bromophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine (CID 76323852) is 3-(4-bromophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine.
What is the SMILES notation for 3-(4-Bromophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine?
The canonical SMILES for 3-(4-Bromophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine is CC1=CC(=C(N=N1)OC2=CC=C(C=C2)Br)C3=CC(=CC=C3)C(F)(F)F.
What is the InChIKey of 3-(4-Bromophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine?
The InChIKey is QAVVJNSDYGGRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrF3N2O/c1-11-9-16(12-3-2-4-13(10-12)18(20,21)22)17(24-23-11)25-15-7-5-14(19)6-8-15/h2-10H,1H3.
What are the key properties of 3-(4-Bromophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine?
3-(4-Bromophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine has a molecular weight of 409.20 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-Bromophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine is sourced from PubChem (CID 76323852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).