3-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazin-2-one

C12H7FN2O2 — CID 106521879

IUPAC3-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1-c1cc2cccc(F)c2o1
InChIInChI=1S/C12H7FN2O2/c13-8-3-1-2-7-6-9(17-11(7)8)10-12(16)15-5-4-14-10/h1-6H,(H,15,16)
InChIKeyXWZDYSDSOQFJKG-UHFFFAOYSA-N
MW230.20 g/mol
LogP2.32
Rot. Bonds1

About 3-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazin-2-one

3-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazin-2-one (PubChem CID 106521879) has the molecular formula C12H7FN2O2 and a molecular weight of 230.20 g/mol. Its IUPAC name is 3-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazin-2-one
PubChem CID106521879
Molecular FormulaC12H7FN2O2
Molecular Weight230.20 g/mol
Exact Mass230.05
IUPAC Name3-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1-c1cc2cccc(F)c2o1
InChIInChI=1S/C12H7FN2O2/c13-8-3-1-2-7-6-9(17-11(7)8)10-12(16)15-5-4-14-10/h1-6H,(H,15,16)
InChIKeyXWZDYSDSOQFJKG-UHFFFAOYSA-N
XLogP2.32
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-fluoro-1-benzofuran-2-yl)-5,6-dimethyl-1H-pyrazin-2-one
CID 106521910
2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
CID 115113758
6-(7-fluoro-1-benzofuran-2-yl)-4,5-dimethylpyridazin-3-amine
CID 114734957
[2-(7-fluoro-1-benzofuran-2-yl)-4-pyridinyl]methanamine
CID 115113748
4-chloro-6-(7-fluoro-1-benzofuran-2-yl)-5-propylpyrimidine
CID 114734319
4-(7-chloro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one
CID 136770216
5-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazole-4-carboxylic acid
CID 115109503
5-(7-fluoro-1-benzofuran-2-yl)-3-methylpyridin-2-amine
CID 114731979
4-(7-fluoro-1-benzofuran-2-yl)-2,3-dihydro-1H-indole
CID 114731967
3-(3-methylphenyl)-1H-pyrazin-2-one
CID 112558965
5-(7-fluoro-1-benzofuran-2-yl)-1H-indazole
CID 166359737
3-chloro-5-(7-fluoro-1-benzofuran-2-yl)benzaldehyde
CID 122476342

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazin-2-one?
The IUPAC name of 3-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazin-2-one (CID 106521879) is 3-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazin-2-one is O=c1[nH]ccnc1-c1cc2cccc(F)c2o1.
What is the InChIKey of 3-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazin-2-one?
The InChIKey is XWZDYSDSOQFJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O2/c13-8-3-1-2-7-6-9(17-11(7)8)10-12(16)15-5-4-14-10/h1-6H,(H,15,16).
What are the key properties of 3-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazin-2-one?
3-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazin-2-one has a molecular weight of 230.20 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 106521879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).