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

C12H9F3N2O2 — CID 19421249

IUPAC5-methoxy-3-[3-(trifluoromethyl)phenoxy]pyridazine
SMILESCOc1cnnc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C12H9F3N2O2/c1-18-10-6-11(17-16-7-10)19-9-4-2-3-8(5-9)12(13,14)15/h2-7H,1H3
InChIKeyOPCFQWMKYFBIQQ-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.30
Rot. Bonds3

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

5-methoxy-3-[3-(trifluoromethyl)phenoxy]pyridazine (PubChem CID 19421249) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 5-methoxy-3-[3-(trifluoromethyl)phenoxy]pyridazine.

Molecular Properties

Compound Name5-methoxy-3-[3-(trifluoromethyl)phenoxy]pyridazine
PubChem CID19421249
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name5-methoxy-3-[3-(trifluoromethyl)phenoxy]pyridazine
SMILESCOc1cnnc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C12H9F3N2O2/c1-18-10-6-11(17-16-7-10)19-9-4-2-3-8(5-9)12(13,14)15/h2-7H,1H3
InChIKeyOPCFQWMKYFBIQQ-UHFFFAOYSA-N
XLogP3.30
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[3-(trifluoromethyl)phenoxy]pyridazine?
The IUPAC name of 5-methoxy-3-[3-(trifluoromethyl)phenoxy]pyridazine (CID 19421249) is 5-methoxy-3-[3-(trifluoromethyl)phenoxy]pyridazine.
What is the SMILES notation for 5-methoxy-3-[3-(trifluoromethyl)phenoxy]pyridazine?
The canonical SMILES for 5-methoxy-3-[3-(trifluoromethyl)phenoxy]pyridazine is COc1cnnc(Oc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 5-methoxy-3-[3-(trifluoromethyl)phenoxy]pyridazine?
The InChIKey is OPCFQWMKYFBIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-18-10-6-11(17-16-7-10)19-9-4-2-3-8(5-9)12(13,14)15/h2-7H,1H3.
What are the key properties of 5-methoxy-3-[3-(trifluoromethyl)phenoxy]pyridazine?
5-methoxy-3-[3-(trifluoromethyl)phenoxy]pyridazine has a molecular weight of 270.21 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[3-(trifluoromethyl)phenoxy]pyridazine is sourced from PubChem (CID 19421249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).