2-[2-(3-fluorophenyl)-2-oxoethyl]-6-methoxypyridazin-3-one

C13H11FN2O3 — CID 105061918

IUPAC2-[2-(3-fluorophenyl)-2-oxoethyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C13H11FN2O3/c1-19-12-5-6-13(18)16(15-12)8-11(17)9-3-2-4-10(14)7-9/h2-7H,8H2,1H3
InChIKeyLCXZUKZQQMMTQG-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.27
Rot. Bonds4

About 2-[2-(3-fluorophenyl)-2-oxoethyl]-6-methoxypyridazin-3-one

2-[2-(3-fluorophenyl)-2-oxoethyl]-6-methoxypyridazin-3-one (PubChem CID 105061918) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-2-oxoethyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-2-oxoethyl]-6-methoxypyridazin-3-one
PubChem CID105061918
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name2-[2-(3-fluorophenyl)-2-oxoethyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C13H11FN2O3/c1-19-12-5-6-13(18)16(15-12)8-11(17)9-3-2-4-10(14)7-9/h2-7H,8H2,1H3
InChIKeyLCXZUKZQQMMTQG-UHFFFAOYSA-N
XLogP1.27
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 105061863
6-methoxy-2-[2-(3-nitrophenyl)-2-oxoethyl]pyridazin-3-one
CID 105061887
6-methoxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 105061881
2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-6-methoxypyridazin-3-one
CID 105061893
2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-6-methoxypyridazin-3-one
CID 105061852
2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
CID 132587202
2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 62849259
(3-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone
CID 103373214
N-(5-amino-2-fluorophenyl)-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
CID 105061482
2-[2-(3,4-difluorophenyl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 55157225
4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione
CID 66083375
5-fluoro-2-[(3-methoxy-6-oxopyridazin-1-yl)methyl]benzenecarbothioamide
CID 105061811

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-2-oxoethyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[2-(3-fluorophenyl)-2-oxoethyl]-6-methoxypyridazin-3-one (CID 105061918) is 2-[2-(3-fluorophenyl)-2-oxoethyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-2-oxoethyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[2-(3-fluorophenyl)-2-oxoethyl]-6-methoxypyridazin-3-one is COc1ccc(=O)n(CC(=O)c2cccc(F)c2)n1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-2-oxoethyl]-6-methoxypyridazin-3-one?
The InChIKey is LCXZUKZQQMMTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-19-12-5-6-13(18)16(15-12)8-11(17)9-3-2-4-10(14)7-9/h2-7H,8H2,1H3.
What are the key properties of 2-[2-(3-fluorophenyl)-2-oxoethyl]-6-methoxypyridazin-3-one?
2-[2-(3-fluorophenyl)-2-oxoethyl]-6-methoxypyridazin-3-one has a molecular weight of 262.24 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-2-oxoethyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 105061918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).