3-chloro-1-(4-fluorophenyl)pyrazin-2-one

C10H6ClFN2O — CID 67221416

IUPAC3-chloro-1-(4-fluorophenyl)pyrazin-2-one
SMILESO=c1c(Cl)nccn1-c1ccc(F)cc1
InChIInChI=1S/C10H6ClFN2O/c11-9-10(15)14(6-5-13-9)8-3-1-7(12)2-4-8/h1-6H
InChIKeyOTHRCAQVLAOBPJ-UHFFFAOYSA-N
MW224.62 g/mol
LogP2.03
Rot. Bonds1

About 3-chloro-1-(4-fluorophenyl)pyrazin-2-one

3-chloro-1-(4-fluorophenyl)pyrazin-2-one (PubChem CID 67221416) has the molecular formula C10H6ClFN2O and a molecular weight of 224.62 g/mol. Its IUPAC name is 3-chloro-1-(4-fluorophenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-chloro-1-(4-fluorophenyl)pyrazin-2-one
PubChem CID67221416
Molecular FormulaC10H6ClFN2O
Molecular Weight224.62 g/mol
Exact Mass224.02
IUPAC Name3-chloro-1-(4-fluorophenyl)pyrazin-2-one
SMILESO=c1c(Cl)nccn1-c1ccc(F)cc1
InChIInChI=1S/C10H6ClFN2O/c11-9-10(15)14(6-5-13-9)8-3-1-7(12)2-4-8/h1-6H
InChIKeyOTHRCAQVLAOBPJ-UHFFFAOYSA-N
XLogP2.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.62
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4-fluorophenyl)pyrazin-2-one?
The IUPAC name of 3-chloro-1-(4-fluorophenyl)pyrazin-2-one (CID 67221416) is 3-chloro-1-(4-fluorophenyl)pyrazin-2-one.
What is the SMILES notation for 3-chloro-1-(4-fluorophenyl)pyrazin-2-one?
The canonical SMILES for 3-chloro-1-(4-fluorophenyl)pyrazin-2-one is O=c1c(Cl)nccn1-c1ccc(F)cc1.
What is the InChIKey of 3-chloro-1-(4-fluorophenyl)pyrazin-2-one?
The InChIKey is OTHRCAQVLAOBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O/c11-9-10(15)14(6-5-13-9)8-3-1-7(12)2-4-8/h1-6H.
What are the key properties of 3-chloro-1-(4-fluorophenyl)pyrazin-2-one?
3-chloro-1-(4-fluorophenyl)pyrazin-2-one has a molecular weight of 224.62 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-fluorophenyl)pyrazin-2-one is sourced from PubChem (CID 67221416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).