3-(4-fluorophenoxy)-6-(3-methylphenyl)pyridazine

C17H13FN2O — CID 155519926

IUPAC3-(4-fluorophenoxy)-6-(3-methylphenyl)pyridazine
SMILESCc1cccc(-c2ccc(Oc3ccc(F)cc3)nn2)c1
InChIInChI=1S/C17H13FN2O/c1-12-3-2-4-13(11-12)16-9-10-17(20-19-16)21-15-7-5-14(18)6-8-15/h2-11H,1H3
InChIKeyFHOFCHNIGFKMCD-UHFFFAOYSA-N
MW280.30 g/mol
LogP4.38
Rot. Bonds3

About 3-(4-fluorophenoxy)-6-(3-methylphenyl)pyridazine

3-(4-fluorophenoxy)-6-(3-methylphenyl)pyridazine (PubChem CID 155519926) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-6-(3-methylphenyl)pyridazine.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-6-(3-methylphenyl)pyridazine
PubChem CID155519926
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name3-(4-fluorophenoxy)-6-(3-methylphenyl)pyridazine
SMILESCc1cccc(-c2ccc(Oc3ccc(F)cc3)nn2)c1
InChIInChI=1S/C17H13FN2O/c1-12-3-2-4-13(11-12)16-9-10-17(20-19-16)21-15-7-5-14(18)6-8-15/h2-11H,1H3
InChIKeyFHOFCHNIGFKMCD-UHFFFAOYSA-N
XLogP4.38
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-6-(3-methylphenyl)pyridazine?
The IUPAC name of 3-(4-fluorophenoxy)-6-(3-methylphenyl)pyridazine (CID 155519926) is 3-(4-fluorophenoxy)-6-(3-methylphenyl)pyridazine.
What is the SMILES notation for 3-(4-fluorophenoxy)-6-(3-methylphenyl)pyridazine?
The canonical SMILES for 3-(4-fluorophenoxy)-6-(3-methylphenyl)pyridazine is Cc1cccc(-c2ccc(Oc3ccc(F)cc3)nn2)c1.
What is the InChIKey of 3-(4-fluorophenoxy)-6-(3-methylphenyl)pyridazine?
The InChIKey is FHOFCHNIGFKMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c1-12-3-2-4-13(11-12)16-9-10-17(20-19-16)21-15-7-5-14(18)6-8-15/h2-11H,1H3.
What are the key properties of 3-(4-fluorophenoxy)-6-(3-methylphenyl)pyridazine?
3-(4-fluorophenoxy)-6-(3-methylphenyl)pyridazine has a molecular weight of 280.30 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-6-(3-methylphenyl)pyridazine is sourced from PubChem (CID 155519926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).