6-(4-fluorophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one

C16H12FN3O — CID 16831261

IUPAC6-(4-fluorophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccc(F)cc2)nn1Cc1ccccn1
InChIInChI=1S/C16H12FN3O/c17-13-6-4-12(5-7-13)15-8-9-16(21)20(19-15)11-14-3-1-2-10-18-14/h1-10H,11H2
InChIKeySBPOVLXOMCXVFI-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.49
Rot. Bonds3

About 6-(4-fluorophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one

6-(4-fluorophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one (PubChem CID 16831261) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one
PubChem CID16831261
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name6-(4-fluorophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccc(F)cc2)nn1Cc1ccccn1
InChIInChI=1S/C16H12FN3O/c17-13-6-4-12(5-7-13)15-8-9-16(21)20(19-15)11-14-3-1-2-10-18-14/h1-10H,11H2
InChIKeySBPOVLXOMCXVFI-UHFFFAOYSA-N
XLogP2.49
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(4-fluorobenzylidene)isonicotinohydrazide
CID 6861407
N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 5333835
(4,5-Dihydro-5-phenyl-1H-pyrazol-1-yl)-4-pyridinylmethanone
CID 3078469
(5-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-2-yl)methanone
CID 3078470
(2E)-3-phenyl-N-(pyridin-3-yl)prop-2-enamide
CID 825474
N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 2351493
2-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 5335659
Isonicotinic acid (1-phenyl-ethylidene)-hydrazide
CID 5411370
4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide
CID 5720743
6-(4-fluorophenyl)-4-(2-pyridinylmethyl)-3(2H)-pyridazinone
CID 2811496
6-(4-methylphenyl)-4-(2-pyridinylmethyl)-3(2H)-pyridazinone
CID 2811840
6-(4-methylphenyl)-4-(4-pyridinylmethyl)-3(2H)-pyridazinone
CID 2811842

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one (CID 16831261) is 6-(4-fluorophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one is O=c1ccc(-c2ccc(F)cc2)nn1Cc1ccccn1.
What is the InChIKey of 6-(4-fluorophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one?
The InChIKey is SBPOVLXOMCXVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-13-6-4-12(5-7-13)15-8-9-16(21)20(19-15)11-14-3-1-2-10-18-14/h1-10H,11H2.
What are the key properties of 6-(4-fluorophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one?
6-(4-fluorophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one has a molecular weight of 281.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 16831261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).