6-(7-chloro-1-benzofuran-2-yl)-1H-pyrazin-2-one

C12H7ClN2O2 — CID 106521969

IUPAC6-(7-chloro-1-benzofuran-2-yl)-1H-pyrazin-2-one
SMILESO=c1cncc(-c2cc3cccc(Cl)c3o2)[nH]1
InChIInChI=1S/C12H7ClN2O2/c13-8-3-1-2-7-4-10(17-12(7)8)9-5-14-6-11(16)15-9/h1-6H,(H,15,16)
InChIKeyGWCYHKHXJLHIFJ-UHFFFAOYSA-N
MW246.65 g/mol
LogP2.84
Rot. Bonds1

About 6-(7-chloro-1-benzofuran-2-yl)-1H-pyrazin-2-one

6-(7-chloro-1-benzofuran-2-yl)-1H-pyrazin-2-one (PubChem CID 106521969) has the molecular formula C12H7ClN2O2 and a molecular weight of 246.65 g/mol. Its IUPAC name is 6-(7-chloro-1-benzofuran-2-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-(7-chloro-1-benzofuran-2-yl)-1H-pyrazin-2-one
PubChem CID106521969
Molecular FormulaC12H7ClN2O2
Molecular Weight246.65 g/mol
Exact Mass246.02
IUPAC Name6-(7-chloro-1-benzofuran-2-yl)-1H-pyrazin-2-one
SMILESO=c1cncc(-c2cc3cccc(Cl)c3o2)[nH]1
InChIInChI=1S/C12H7ClN2O2/c13-8-3-1-2-7-4-10(17-12(7)8)9-5-14-6-11(16)15-9/h1-6H,(H,15,16)
InChIKeyGWCYHKHXJLHIFJ-UHFFFAOYSA-N
XLogP2.84
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-1-benzofuran-2-yl)-1H-pyrazin-2-one?
The IUPAC name of 6-(7-chloro-1-benzofuran-2-yl)-1H-pyrazin-2-one (CID 106521969) is 6-(7-chloro-1-benzofuran-2-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 6-(7-chloro-1-benzofuran-2-yl)-1H-pyrazin-2-one?
The canonical SMILES for 6-(7-chloro-1-benzofuran-2-yl)-1H-pyrazin-2-one is O=c1cncc(-c2cc3cccc(Cl)c3o2)[nH]1.
What is the InChIKey of 6-(7-chloro-1-benzofuran-2-yl)-1H-pyrazin-2-one?
The InChIKey is GWCYHKHXJLHIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O2/c13-8-3-1-2-7-4-10(17-12(7)8)9-5-14-6-11(16)15-9/h1-6H,(H,15,16).
What are the key properties of 6-(7-chloro-1-benzofuran-2-yl)-1H-pyrazin-2-one?
6-(7-chloro-1-benzofuran-2-yl)-1H-pyrazin-2-one has a molecular weight of 246.65 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-1-benzofuran-2-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 106521969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).