3-(7-fluoro-1-benzofuran-2-yl)-5,6-dimethyl-1H-pyrazin-2-one

C14H11FN2O2 — CID 106521910

IUPAC3-(7-fluoro-1-benzofuran-2-yl)-5,6-dimethyl-1H-pyrazin-2-one
SMILESCc1nc(-c2cc3cccc(F)c3o2)c(=O)[nH]c1C
InChIInChI=1S/C14H11FN2O2/c1-7-8(2)17-14(18)12(16-7)11-6-9-4-3-5-10(15)13(9)19-11/h3-6H,1-2H3,(H,17,18)
InChIKeyDJLFPADBVXWRRX-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.94
Rot. Bonds1

About 3-(7-fluoro-1-benzofuran-2-yl)-5,6-dimethyl-1H-pyrazin-2-one

3-(7-fluoro-1-benzofuran-2-yl)-5,6-dimethyl-1H-pyrazin-2-one (PubChem CID 106521910) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 3-(7-fluoro-1-benzofuran-2-yl)-5,6-dimethyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(7-fluoro-1-benzofuran-2-yl)-5,6-dimethyl-1H-pyrazin-2-one
PubChem CID106521910
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name3-(7-fluoro-1-benzofuran-2-yl)-5,6-dimethyl-1H-pyrazin-2-one
SMILESCc1nc(-c2cc3cccc(F)c3o2)c(=O)[nH]c1C
InChIInChI=1S/C14H11FN2O2/c1-7-8(2)17-14(18)12(16-7)11-6-9-4-3-5-10(15)13(9)19-11/h3-6H,1-2H3,(H,17,18)
InChIKeyDJLFPADBVXWRRX-UHFFFAOYSA-N
XLogP2.94
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-1-benzofuran-2-yl)-5,6-dimethyl-1H-pyrazin-2-one?
The IUPAC name of 3-(7-fluoro-1-benzofuran-2-yl)-5,6-dimethyl-1H-pyrazin-2-one (CID 106521910) is 3-(7-fluoro-1-benzofuran-2-yl)-5,6-dimethyl-1H-pyrazin-2-one.
What is the SMILES notation for 3-(7-fluoro-1-benzofuran-2-yl)-5,6-dimethyl-1H-pyrazin-2-one?
The canonical SMILES for 3-(7-fluoro-1-benzofuran-2-yl)-5,6-dimethyl-1H-pyrazin-2-one is Cc1nc(-c2cc3cccc(F)c3o2)c(=O)[nH]c1C.
What is the InChIKey of 3-(7-fluoro-1-benzofuran-2-yl)-5,6-dimethyl-1H-pyrazin-2-one?
The InChIKey is DJLFPADBVXWRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-7-8(2)17-14(18)12(16-7)11-6-9-4-3-5-10(15)13(9)19-11/h3-6H,1-2H3,(H,17,18).
What are the key properties of 3-(7-fluoro-1-benzofuran-2-yl)-5,6-dimethyl-1H-pyrazin-2-one?
3-(7-fluoro-1-benzofuran-2-yl)-5,6-dimethyl-1H-pyrazin-2-one has a molecular weight of 258.25 g/mol, XLogP of 2.94, 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)-5,6-dimethyl-1H-pyrazin-2-one is sourced from PubChem (CID 106521910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).