2-(4-fluorobenzoyl)-6-phenylpyridazin-3-one

C17H11FN2O2 — CID 155926213

IUPAC2-(4-fluorobenzoyl)-6-phenylpyridazin-3-one
SMILESO=C(c1ccc(F)cc1)n1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C17H11FN2O2/c18-14-8-6-13(7-9-14)17(22)20-16(21)11-10-15(19-20)12-4-2-1-3-5-12/h1-11H
InChIKeyVPFPGDLIVAVLEQ-UHFFFAOYSA-N
MW294.29 g/mol
LogP2.74
Rot. Bonds2

About 2-(4-fluorobenzoyl)-6-phenylpyridazin-3-one

2-(4-fluorobenzoyl)-6-phenylpyridazin-3-one (PubChem CID 155926213) has the molecular formula C17H11FN2O2 and a molecular weight of 294.29 g/mol. Its IUPAC name is 2-(4-fluorobenzoyl)-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-(4-fluorobenzoyl)-6-phenylpyridazin-3-one
PubChem CID155926213
Molecular FormulaC17H11FN2O2
Molecular Weight294.29 g/mol
Exact Mass294.08
IUPAC Name2-(4-fluorobenzoyl)-6-phenylpyridazin-3-one
SMILESO=C(c1ccc(F)cc1)n1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C17H11FN2O2/c18-14-8-6-13(7-9-14)17(22)20-16(21)11-10-15(19-20)12-4-2-1-3-5-12/h1-11H
InChIKeyVPFPGDLIVAVLEQ-UHFFFAOYSA-N
XLogP2.74
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzoyl)-6-phenylpyridazin-3-one?
The IUPAC name of 2-(4-fluorobenzoyl)-6-phenylpyridazin-3-one (CID 155926213) is 2-(4-fluorobenzoyl)-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-(4-fluorobenzoyl)-6-phenylpyridazin-3-one?
The canonical SMILES for 2-(4-fluorobenzoyl)-6-phenylpyridazin-3-one is O=C(c1ccc(F)cc1)n1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of 2-(4-fluorobenzoyl)-6-phenylpyridazin-3-one?
The InChIKey is VPFPGDLIVAVLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O2/c18-14-8-6-13(7-9-14)17(22)20-16(21)11-10-15(19-20)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 2-(4-fluorobenzoyl)-6-phenylpyridazin-3-one?
2-(4-fluorobenzoyl)-6-phenylpyridazin-3-one has a molecular weight of 294.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzoyl)-6-phenylpyridazin-3-one is sourced from PubChem (CID 155926213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).