2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide

C12H10FN3O2 — CID 6852091

IUPAC2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESNC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C12H10FN3O2/c13-9-3-1-8(2-4-9)10-5-6-12(18)16(15-10)7-11(14)17/h1-6H,7H2,(H2,14,17)
InChIKeySTJRJUFZXWQNEA-UHFFFAOYSA-N
MW247.23 g/mol
LogP0.53
Rot. Bonds3

About 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 6852091) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID6852091
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESNC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C12H10FN3O2/c13-9-3-1-8(2-4-9)10-5-6-12(18)16(15-10)7-11(14)17/h1-6H,7H2,(H2,14,17)
InChIKeySTJRJUFZXWQNEA-UHFFFAOYSA-N
XLogP0.53
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7664521
4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51044126
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403
ethyl 2-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
CID 7664397
N-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224412
N-(2,5-difluorophenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858972
2-[6-oxo-3-[6-(trifluoromethoxy)-3-pyridinyl]pyridazin-1-yl]acetamide
CID 153140345
methyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate
CID 51054365
2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 95284309
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(7-methyloctan-2-yl)acetamide
CID 56728951
6-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 7664527
6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 7664368

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide (CID 6852091) is 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide is NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is STJRJUFZXWQNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c13-9-3-1-8(2-4-9)10-5-6-12(18)16(15-10)7-11(14)17/h1-6H,7H2,(H2,14,17).
What are the key properties of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 247.23 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 6852091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).