3-[4-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyridazine

C13H11F3N2O — CID 68892982

IUPAC3-[4-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyridazine
SMILESCOc1ccc(-c2ccc(C)nn2)c(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2O/c1-8-3-6-12(18-17-8)10-5-4-9(19-2)7-11(10)13(14,15)16/h3-7H,1-2H3
InChIKeyYGMDWNMKJPPMIT-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.48
Rot. Bonds2

About 3-[4-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyridazine

3-[4-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyridazine (PubChem CID 68892982) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 3-[4-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyridazine.

Molecular Properties

Compound Name3-[4-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyridazine
PubChem CID68892982
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name3-[4-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyridazine
SMILESCOc1ccc(-c2ccc(C)nn2)c(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2O/c1-8-3-6-12(18-17-8)10-5-4-9(19-2)7-11(10)13(14,15)16/h3-7H,1-2H3
InChIKeyYGMDWNMKJPPMIT-UHFFFAOYSA-N
XLogP3.48
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[4-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyridazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyridazine?
The IUPAC name of 3-[4-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyridazine (CID 68892982) is 3-[4-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyridazine.
What is the SMILES notation for 3-[4-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyridazine?
The canonical SMILES for 3-[4-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyridazine is COc1ccc(-c2ccc(C)nn2)c(C(F)(F)F)c1.
What is the InChIKey of 3-[4-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyridazine?
The InChIKey is YGMDWNMKJPPMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-8-3-6-12(18-17-8)10-5-4-9(19-2)7-11(10)13(14,15)16/h3-7H,1-2H3.
What are the key properties of 3-[4-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyridazine?
3-[4-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyridazine has a molecular weight of 268.24 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-2-(trifluoromethyl)phenyl]-6-methylpyridazine is sourced from PubChem (CID 68892982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).