2-ethyl-6-(4-fluorophenyl)pyridazin-3-one

C12H11FN2O — CID 7664363

IUPAC2-ethyl-6-(4-fluorophenyl)pyridazin-3-one
SMILESCCn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C12H11FN2O/c1-2-15-12(16)8-7-11(14-15)9-3-5-10(13)6-4-9/h3-8H,2H2,1H3
InChIKeyAMZQDTSEPXIMNO-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.07
Rot. Bonds2

About 2-ethyl-6-(4-fluorophenyl)pyridazin-3-one

2-ethyl-6-(4-fluorophenyl)pyridazin-3-one (PubChem CID 7664363) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 2-ethyl-6-(4-fluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-(4-fluorophenyl)pyridazin-3-one
PubChem CID7664363
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name2-ethyl-6-(4-fluorophenyl)pyridazin-3-one
SMILESCCn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C12H11FN2O/c1-2-15-12(16)8-7-11(14-15)9-3-5-10(13)6-4-9/h3-8H,2H2,1H3
InChIKeyAMZQDTSEPXIMNO-UHFFFAOYSA-N
XLogP2.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(4-fluorophenyl)pyridazin-3-one?
The IUPAC name of 2-ethyl-6-(4-fluorophenyl)pyridazin-3-one (CID 7664363) is 2-ethyl-6-(4-fluorophenyl)pyridazin-3-one.
What is the SMILES notation for 2-ethyl-6-(4-fluorophenyl)pyridazin-3-one?
The canonical SMILES for 2-ethyl-6-(4-fluorophenyl)pyridazin-3-one is CCn1nc(-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 2-ethyl-6-(4-fluorophenyl)pyridazin-3-one?
The InChIKey is AMZQDTSEPXIMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-2-15-12(16)8-7-11(14-15)9-3-5-10(13)6-4-9/h3-8H,2H2,1H3.
What are the key properties of 2-ethyl-6-(4-fluorophenyl)pyridazin-3-one?
2-ethyl-6-(4-fluorophenyl)pyridazin-3-one has a molecular weight of 218.23 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-fluorophenyl)pyridazin-3-one is sourced from PubChem (CID 7664363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).