5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine

C12H9F3N2O — CID 11831960

IUPAC5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine
SMILESCOc1cnnc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C12H9F3N2O/c1-18-10-6-11(17-16-7-10)8-3-2-4-9(5-8)12(13,14)15/h2-7H,1H3
InChIKeyZDTDJJZAOUYAGB-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.17
Rot. Bonds2

About 5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine

5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine (PubChem CID 11831960) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine.

Molecular Properties

Compound Name5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine
PubChem CID11831960
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine
SMILESCOc1cnnc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C12H9F3N2O/c1-18-10-6-11(17-16-7-10)8-3-2-4-9(5-8)12(13,14)15/h2-7H,1H3
InChIKeyZDTDJJZAOUYAGB-UHFFFAOYSA-N
XLogP3.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Cinnolinyl methyl ether
CID 292501
4,6-Dimethoxy-3-phenylpyridazine
CID 2786918
4-Prop-2-enoxycinnoline
CID 135060412
3-(4-Methoxyphenyl)pyridazine
CID 59738576
5-(4-Fluoro-3-methoxyphenyl)-3-phenylpyridazine
CID 10401417
5-Methoxy-3-[3-(trifluoromethyl)phenoxy]pyridazine
CID 19421249
5-Fluoro-4-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine
CID 19959660
3-Fluoro-4-methoxy-6-[3-(trifluoromethyl)phenyl]pyridazine
CID 19959661
4-Ethenyl-5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine
CID 19959664
4-Methoxy-3-(methylthio)-6-[3-(trifluoromethyl)phenyl]pyridazine
CID 19959667
4-Bromo-5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine
CID 19959668
3-Bromo-4-methoxy-6-[3-(trifluoromethyl)phenyl]pyridazine
CID 19959669

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine?
The IUPAC name of 5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine (CID 11831960) is 5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine.
What is the SMILES notation for 5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine?
The canonical SMILES for 5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine is COc1cnnc(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine?
The InChIKey is ZDTDJJZAOUYAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c1-18-10-6-11(17-16-7-10)8-3-2-4-9(5-8)12(13,14)15/h2-7H,1H3.
What are the key properties of 5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine?
5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine has a molecular weight of 254.21 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine is sourced from PubChem (CID 11831960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).