6-[4-(4-fluorophenoxy)phenyl]-2-methylpyridazin-3-one

C17H13FN2O2 — CID 20569962

IUPAC6-[4-(4-fluorophenoxy)phenyl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2ccc(Oc3ccc(F)cc3)cc2)ccc1=O
InChIInChI=1S/C17H13FN2O2/c1-20-17(21)11-10-16(19-20)12-2-6-14(7-3-12)22-15-8-4-13(18)5-9-15/h2-11H,1H3
InChIKeyGSCFKDBQMAGLAW-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.38
Rot. Bonds3

About 6-[4-(4-fluorophenoxy)phenyl]-2-methylpyridazin-3-one

6-[4-(4-fluorophenoxy)phenyl]-2-methylpyridazin-3-one (PubChem CID 20569962) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)phenyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)phenyl]-2-methylpyridazin-3-one
PubChem CID20569962
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name6-[4-(4-fluorophenoxy)phenyl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2ccc(Oc3ccc(F)cc3)cc2)ccc1=O
InChIInChI=1S/C17H13FN2O2/c1-20-17(21)11-10-16(19-20)12-2-6-14(7-3-12)22-15-8-4-13(18)5-9-15/h2-11H,1H3
InChIKeyGSCFKDBQMAGLAW-UHFFFAOYSA-N
XLogP3.38
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-2-methylpyridazin-3-one (CID 20569962) is 6-[4-(4-fluorophenoxy)phenyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)phenyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[4-(4-fluorophenoxy)phenyl]-2-methylpyridazin-3-one is Cn1nc(-c2ccc(Oc3ccc(F)cc3)cc2)ccc1=O.
What is the InChIKey of 6-[4-(4-fluorophenoxy)phenyl]-2-methylpyridazin-3-one?
The InChIKey is GSCFKDBQMAGLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-20-17(21)11-10-16(19-20)12-2-6-14(7-3-12)22-15-8-4-13(18)5-9-15/h2-11H,1H3.
What are the key properties of 6-[4-(4-fluorophenoxy)phenyl]-2-methylpyridazin-3-one?
6-[4-(4-fluorophenoxy)phenyl]-2-methylpyridazin-3-one has a molecular weight of 296.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)phenyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 20569962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).