6-(3-fluorophenyl)-5-methoxy-2-methylpyridazin-3-one

C12H11FN2O2 — CID 173232944

IUPAC6-(3-fluorophenyl)-5-methoxy-2-methylpyridazin-3-one
SMILESCOc1cc(=O)n(C)nc1-c1cccc(F)c1
InChIInChI=1S/C12H11FN2O2/c1-15-11(16)7-10(17-2)12(14-15)8-4-3-5-9(13)6-8/h3-7H,1-2H3
InChIKeyZKYJYRCKWUYWDJ-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.60
Rot. Bonds2

About 6-(3-fluorophenyl)-5-methoxy-2-methylpyridazin-3-one

6-(3-fluorophenyl)-5-methoxy-2-methylpyridazin-3-one (PubChem CID 173232944) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-5-methoxy-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(3-fluorophenyl)-5-methoxy-2-methylpyridazin-3-one
PubChem CID173232944
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name6-(3-fluorophenyl)-5-methoxy-2-methylpyridazin-3-one
SMILESCOc1cc(=O)n(C)nc1-c1cccc(F)c1
InChIInChI=1S/C12H11FN2O2/c1-15-11(16)7-10(17-2)12(14-15)8-4-3-5-9(13)6-8/h3-7H,1-2H3
InChIKeyZKYJYRCKWUYWDJ-UHFFFAOYSA-N
XLogP1.60
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-5-methoxy-2-methylpyridazin-3-one?
The IUPAC name of 6-(3-fluorophenyl)-5-methoxy-2-methylpyridazin-3-one (CID 173232944) is 6-(3-fluorophenyl)-5-methoxy-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(3-fluorophenyl)-5-methoxy-2-methylpyridazin-3-one?
The canonical SMILES for 6-(3-fluorophenyl)-5-methoxy-2-methylpyridazin-3-one is COc1cc(=O)n(C)nc1-c1cccc(F)c1.
What is the InChIKey of 6-(3-fluorophenyl)-5-methoxy-2-methylpyridazin-3-one?
The InChIKey is ZKYJYRCKWUYWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-15-11(16)7-10(17-2)12(14-15)8-4-3-5-9(13)6-8/h3-7H,1-2H3.
What are the key properties of 6-(3-fluorophenyl)-5-methoxy-2-methylpyridazin-3-one?
6-(3-fluorophenyl)-5-methoxy-2-methylpyridazin-3-one has a molecular weight of 234.23 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-5-methoxy-2-methylpyridazin-3-one is sourced from PubChem (CID 173232944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).