4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridazine

C12H9F3N2O — CID 59436565

IUPAC4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridazine
SMILESCOc1ccc(C(F)(F)F)cc1-c1ccnnc1
InChIInChI=1S/C12H9F3N2O/c1-18-11-3-2-9(12(13,14)15)6-10(11)8-4-5-16-17-7-8/h2-7H,1H3
InChIKeyPIZNKROEWDOWAO-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.17
Rot. Bonds2

About 4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridazine

4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridazine (PubChem CID 59436565) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridazine.

Molecular Properties

Compound Name4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridazine
PubChem CID59436565
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridazine
SMILESCOc1ccc(C(F)(F)F)cc1-c1ccnnc1
InChIInChI=1S/C12H9F3N2O/c1-18-11-3-2-9(12(13,14)15)6-10(11)8-4-5-16-17-7-8/h2-7H,1H3
InChIKeyPIZNKROEWDOWAO-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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Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridazine?
The IUPAC name of 4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridazine (CID 59436565) is 4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridazine.
What is the SMILES notation for 4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridazine?
The canonical SMILES for 4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridazine is COc1ccc(C(F)(F)F)cc1-c1ccnnc1.
What is the InChIKey of 4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridazine?
The InChIKey is PIZNKROEWDOWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c1-18-11-3-2-9(12(13,14)15)6-10(11)8-4-5-16-17-7-8/h2-7H,1H3.
What are the key properties of 4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridazine?
4-[2-methoxy-5-(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 4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridazine is sourced from PubChem (CID 59436565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).