5-(4-chlorophenyl)-1-hydroxypyrazin-2-one

C10H7ClN2O2 — CID 1483280

IUPAC5-(4-chlorophenyl)-1-hydroxypyrazin-2-one
SMILESO=c1cnc(-c2ccc(Cl)cc2)cn1O
InChIInChI=1S/C10H7ClN2O2/c11-8-3-1-7(2-4-8)9-6-13(15)10(14)5-12-9/h1-6,15H
InChIKeyWEMJPHHAVBJDQF-UHFFFAOYSA-N
MW222.63 g/mol
LogP1.80
Rot. Bonds1

About 5-(4-chlorophenyl)-1-hydroxypyrazin-2-one

5-(4-chlorophenyl)-1-hydroxypyrazin-2-one (PubChem CID 1483280) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-hydroxypyrazin-2-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-hydroxypyrazin-2-one
PubChem CID1483280
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name5-(4-chlorophenyl)-1-hydroxypyrazin-2-one
SMILESO=c1cnc(-c2ccc(Cl)cc2)cn1O
InChIInChI=1S/C10H7ClN2O2/c11-8-3-1-7(2-4-8)9-6-13(15)10(14)5-12-9/h1-6,15H
InChIKeyWEMJPHHAVBJDQF-UHFFFAOYSA-N
XLogP1.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 51.80
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-(4-chlorophenyl)-1-hydroxypyrazin-2-one?
The IUPAC name of 5-(4-chlorophenyl)-1-hydroxypyrazin-2-one (CID 1483280) is 5-(4-chlorophenyl)-1-hydroxypyrazin-2-one.
What is the SMILES notation for 5-(4-chlorophenyl)-1-hydroxypyrazin-2-one?
The canonical SMILES for 5-(4-chlorophenyl)-1-hydroxypyrazin-2-one is O=c1cnc(-c2ccc(Cl)cc2)cn1O.
What is the InChIKey of 5-(4-chlorophenyl)-1-hydroxypyrazin-2-one?
The InChIKey is WEMJPHHAVBJDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-8-3-1-7(2-4-8)9-6-13(15)10(14)5-12-9/h1-6,15H.
What are the key properties of 5-(4-chlorophenyl)-1-hydroxypyrazin-2-one?
5-(4-chlorophenyl)-1-hydroxypyrazin-2-one has a molecular weight of 222.63 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-hydroxypyrazin-2-one is sourced from PubChem (CID 1483280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).