3-methoxy-5-(2,4,6-trifluorophenyl)pyridazine

C11H7F3N2O — CID 90904981

IUPAC3-methoxy-5-(2,4,6-trifluorophenyl)pyridazine
SMILESCOc1cc(-c2c(F)cc(F)cc2F)cnn1
InChIInChI=1S/C11H7F3N2O/c1-17-10-2-6(5-15-16-10)11-8(13)3-7(12)4-9(11)14/h2-5H,1H3
InChIKeyYWGCGXNDJGOBSJ-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.57
Rot. Bonds2

About 3-methoxy-5-(2,4,6-trifluorophenyl)pyridazine

3-methoxy-5-(2,4,6-trifluorophenyl)pyridazine (PubChem CID 90904981) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is 3-methoxy-5-(2,4,6-trifluorophenyl)pyridazine.

Molecular Properties

Compound Name3-methoxy-5-(2,4,6-trifluorophenyl)pyridazine
PubChem CID90904981
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Name3-methoxy-5-(2,4,6-trifluorophenyl)pyridazine
SMILESCOc1cc(-c2c(F)cc(F)cc2F)cnn1
InChIInChI=1S/C11H7F3N2O/c1-17-10-2-6(5-15-16-10)11-8(13)3-7(12)4-9(11)14/h2-5H,1H3
InChIKeyYWGCGXNDJGOBSJ-UHFFFAOYSA-N
XLogP2.57
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(2,4,6-trifluorophenyl)pyridazine?
The IUPAC name of 3-methoxy-5-(2,4,6-trifluorophenyl)pyridazine (CID 90904981) is 3-methoxy-5-(2,4,6-trifluorophenyl)pyridazine.
What is the SMILES notation for 3-methoxy-5-(2,4,6-trifluorophenyl)pyridazine?
The canonical SMILES for 3-methoxy-5-(2,4,6-trifluorophenyl)pyridazine is COc1cc(-c2c(F)cc(F)cc2F)cnn1.
What is the InChIKey of 3-methoxy-5-(2,4,6-trifluorophenyl)pyridazine?
The InChIKey is YWGCGXNDJGOBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O/c1-17-10-2-6(5-15-16-10)11-8(13)3-7(12)4-9(11)14/h2-5H,1H3.
What are the key properties of 3-methoxy-5-(2,4,6-trifluorophenyl)pyridazine?
3-methoxy-5-(2,4,6-trifluorophenyl)pyridazine has a molecular weight of 240.18 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(2,4,6-trifluorophenyl)pyridazine is sourced from PubChem (CID 90904981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).