6-(2-fluorophenyl)-2-(2-oxopropyl)pyridazin-3-one

C13H11FN2O2 — CID 51044803

IUPAC6-(2-fluorophenyl)-2-(2-oxopropyl)pyridazin-3-one
SMILESCC(=O)Cn1nc(-c2ccccc2F)ccc1=O
InChIInChI=1S/C13H11FN2O2/c1-9(17)8-16-13(18)7-6-12(15-16)10-4-2-3-5-11(10)14/h2-7H,8H2,1H3
InChIKeyXSSIUIFQSSSIOX-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.64
Rot. Bonds3

About 6-(2-fluorophenyl)-2-(2-oxopropyl)pyridazin-3-one

6-(2-fluorophenyl)-2-(2-oxopropyl)pyridazin-3-one (PubChem CID 51044803) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-2-(2-oxopropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(2-fluorophenyl)-2-(2-oxopropyl)pyridazin-3-one
PubChem CID51044803
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name6-(2-fluorophenyl)-2-(2-oxopropyl)pyridazin-3-one
SMILESCC(=O)Cn1nc(-c2ccccc2F)ccc1=O
InChIInChI=1S/C13H11FN2O2/c1-9(17)8-16-13(18)7-6-12(15-16)10-4-2-3-5-11(10)14/h2-7H,8H2,1H3
InChIKeyXSSIUIFQSSSIOX-UHFFFAOYSA-N
XLogP1.64
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-Oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetic acid
CID 774033
2-(2-Oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 5057198
2-(4-fluorobenzyl)-6-phenylpyridazin-3(2H)-one
CID 7659607
ethyl (6-oxo-3-phenylpyridazin-1(6H)-yl)acetate
CID 3240850
1(6H)-Pyridazinepropanenitrile, 6-oxo-3-phenyl-
CID 4147009
N-allyl-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3236540
2-(2-fluorobenzyl)-6-phenylpyridazin-3(2H)-one
CID 6461113
2-[(4-Fluorophenyl)methyl]-6-methylpyridazin-3-one
CID 2800006
2-Methyl-6-phenylpyridazin-3(2h)-one
CID 2783842
3-[3-(4-fluorophenyl)-6-oxopyridazin-1(6H)-yl]propanoic acid
CID 2810673
2-[6-Oxo-3-(p-tolyl)pyridazin-1-yl]acetamide
CID 7662372
Ammonium, (2-(4-methyl-3-oxo-6-phenyl-2-(2H)pyridazinyl)ethyl)trimethyl-, iodide
CID 34885

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-2-(2-oxopropyl)pyridazin-3-one?
The IUPAC name of 6-(2-fluorophenyl)-2-(2-oxopropyl)pyridazin-3-one (CID 51044803) is 6-(2-fluorophenyl)-2-(2-oxopropyl)pyridazin-3-one.
What is the SMILES notation for 6-(2-fluorophenyl)-2-(2-oxopropyl)pyridazin-3-one?
The canonical SMILES for 6-(2-fluorophenyl)-2-(2-oxopropyl)pyridazin-3-one is CC(=O)Cn1nc(-c2ccccc2F)ccc1=O.
What is the InChIKey of 6-(2-fluorophenyl)-2-(2-oxopropyl)pyridazin-3-one?
The InChIKey is XSSIUIFQSSSIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-9(17)8-16-13(18)7-6-12(15-16)10-4-2-3-5-11(10)14/h2-7H,8H2,1H3.
What are the key properties of 6-(2-fluorophenyl)-2-(2-oxopropyl)pyridazin-3-one?
6-(2-fluorophenyl)-2-(2-oxopropyl)pyridazin-3-one has a molecular weight of 246.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-2-(2-oxopropyl)pyridazin-3-one is sourced from PubChem (CID 51044803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).