5-(3-chlorophenyl)-1-hydroxy-3-phenylpyrazin-2-one

C16H11ClN2O2 — CID 1486226

IUPAC5-(3-chlorophenyl)-1-hydroxy-3-phenylpyrazin-2-one
SMILESO=c1c(-c2ccccc2)nc(-c2cccc(Cl)c2)cn1O
InChIInChI=1S/C16H11ClN2O2/c17-13-8-4-7-12(9-13)14-10-19(21)16(20)15(18-14)11-5-2-1-3-6-11/h1-10,21H
InChIKeyVFNKWJRLUDEXNS-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.47
Rot. Bonds2

About 5-(3-chlorophenyl)-1-hydroxy-3-phenylpyrazin-2-one

5-(3-chlorophenyl)-1-hydroxy-3-phenylpyrazin-2-one (PubChem CID 1486226) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1-hydroxy-3-phenylpyrazin-2-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-1-hydroxy-3-phenylpyrazin-2-one
PubChem CID1486226
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name5-(3-chlorophenyl)-1-hydroxy-3-phenylpyrazin-2-one
SMILESO=c1c(-c2ccccc2)nc(-c2cccc(Cl)c2)cn1O
InChIInChI=1S/C16H11ClN2O2/c17-13-8-4-7-12(9-13)14-10-19(21)16(20)15(18-14)11-5-2-1-3-6-11/h1-10,21H
InChIKeyVFNKWJRLUDEXNS-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-1-hydroxy-3-phenylpyrazin-2-one?
The IUPAC name of 5-(3-chlorophenyl)-1-hydroxy-3-phenylpyrazin-2-one (CID 1486226) is 5-(3-chlorophenyl)-1-hydroxy-3-phenylpyrazin-2-one.
What is the SMILES notation for 5-(3-chlorophenyl)-1-hydroxy-3-phenylpyrazin-2-one?
The canonical SMILES for 5-(3-chlorophenyl)-1-hydroxy-3-phenylpyrazin-2-one is O=c1c(-c2ccccc2)nc(-c2cccc(Cl)c2)cn1O.
What is the InChIKey of 5-(3-chlorophenyl)-1-hydroxy-3-phenylpyrazin-2-one?
The InChIKey is VFNKWJRLUDEXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-13-8-4-7-12(9-13)14-10-19(21)16(20)15(18-14)11-5-2-1-3-6-11/h1-10,21H.
What are the key properties of 5-(3-chlorophenyl)-1-hydroxy-3-phenylpyrazin-2-one?
5-(3-chlorophenyl)-1-hydroxy-3-phenylpyrazin-2-one has a molecular weight of 298.73 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-1-hydroxy-3-phenylpyrazin-2-one is sourced from PubChem (CID 1486226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).