4-bromo-3-methoxy-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazine

C13H10BrF3N2O — CID 117106723

IUPAC4-bromo-3-methoxy-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazine
SMILESCOc1nnc(Cc2ccccc2C(F)(F)F)cc1Br
InChIInChI=1S/C13H10BrF3N2O/c1-20-12-11(14)7-9(18-19-12)6-8-4-2-3-5-10(8)13(15,16)17/h2-5,7H,6H2,1H3
InChIKeyAXHZQXDPSLKSFH-UHFFFAOYSA-N
MW347.13 g/mol
LogP3.86
Rot. Bonds3

About 4-bromo-3-methoxy-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazine

4-bromo-3-methoxy-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazine (PubChem CID 117106723) has the molecular formula C13H10BrF3N2O and a molecular weight of 347.13 g/mol. Its IUPAC name is 4-bromo-3-methoxy-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazine.

Molecular Properties

Compound Name4-bromo-3-methoxy-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazine
PubChem CID117106723
Molecular FormulaC13H10BrF3N2O
Molecular Weight347.13 g/mol
Exact Mass345.99
IUPAC Name4-bromo-3-methoxy-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazine
SMILESCOc1nnc(Cc2ccccc2C(F)(F)F)cc1Br
InChIInChI=1S/C13H10BrF3N2O/c1-20-12-11(14)7-9(18-19-12)6-8-4-2-3-5-10(8)13(15,16)17/h2-5,7H,6H2,1H3
InChIKeyAXHZQXDPSLKSFH-UHFFFAOYSA-N
XLogP3.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-3-methoxy-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-3-methoxy-6-(methoxymethyl)pyridazine
CID 117104956
4-chloro-6-[(2-fluorophenyl)methyl]-3-methoxypyridazine
CID 117106734
1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene
CID 71499549
4-bromo-6-[(2-methoxyphenyl)methyl]pyridazin-3-amine
CID 117106715
7-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117143079
5-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117140566
2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67518329
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 14509279
1-[(2-methoxyphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 57251880
1-methyl-3-(trifluoromethyl)-5-[[2-(trifluoromethyl)phenyl]methyl]benzene
CID 162581958

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxy-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazine?
The IUPAC name of 4-bromo-3-methoxy-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazine (CID 117106723) is 4-bromo-3-methoxy-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazine.
What is the SMILES notation for 4-bromo-3-methoxy-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazine?
The canonical SMILES for 4-bromo-3-methoxy-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazine is COc1nnc(Cc2ccccc2C(F)(F)F)cc1Br.
What is the InChIKey of 4-bromo-3-methoxy-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazine?
The InChIKey is AXHZQXDPSLKSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2O/c1-20-12-11(14)7-9(18-19-12)6-8-4-2-3-5-10(8)13(15,16)17/h2-5,7H,6H2,1H3.
What are the key properties of 4-bromo-3-methoxy-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazine?
4-bromo-3-methoxy-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazine has a molecular weight of 347.13 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methoxy-6-[[2-(trifluoromethyl)phenyl]methyl]pyridazine is sourced from PubChem (CID 117106723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).