3-(5-chloro-2-fluorophenyl)-1H-pyrazin-2-one

C10H6ClFN2O — CID 114868074

IUPAC3-(5-chloro-2-fluorophenyl)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1-c1cc(Cl)ccc1F
InChIInChI=1S/C10H6ClFN2O/c11-6-1-2-8(12)7(5-6)9-10(15)14-4-3-13-9/h1-5H,(H,14,15)
InChIKeyREGCAUSRKHFEMO-UHFFFAOYSA-N
MW224.62 g/mol
LogP2.23
Rot. Bonds1

About 3-(5-chloro-2-fluorophenyl)-1H-pyrazin-2-one

3-(5-chloro-2-fluorophenyl)-1H-pyrazin-2-one (PubChem CID 114868074) has the molecular formula C10H6ClFN2O and a molecular weight of 224.62 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-1H-pyrazin-2-one
PubChem CID114868074
Molecular FormulaC10H6ClFN2O
Molecular Weight224.62 g/mol
Exact Mass224.02
IUPAC Name3-(5-chloro-2-fluorophenyl)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1-c1cc(Cl)ccc1F
InChIInChI=1S/C10H6ClFN2O/c11-6-1-2-8(12)7(5-6)9-10(15)14-4-3-13-9/h1-5H,(H,14,15)
InChIKeyREGCAUSRKHFEMO-UHFFFAOYSA-N
XLogP2.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.62
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-1H-pyrazin-2-one?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-1H-pyrazin-2-one (CID 114868074) is 3-(5-chloro-2-fluorophenyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-1H-pyrazin-2-one is O=c1[nH]ccnc1-c1cc(Cl)ccc1F.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-1H-pyrazin-2-one?
The InChIKey is REGCAUSRKHFEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O/c11-6-1-2-8(12)7(5-6)9-10(15)14-4-3-13-9/h1-5H,(H,14,15).
What are the key properties of 3-(5-chloro-2-fluorophenyl)-1H-pyrazin-2-one?
3-(5-chloro-2-fluorophenyl)-1H-pyrazin-2-one has a molecular weight of 224.62 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)-1H-pyrazin-2-one is sourced from PubChem (CID 114868074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).