2-(2-chlorophenyl)-1-pyrazin-2-ylethanone

C12H9ClN2O — CID 60799259

IUPAC2-(2-chlorophenyl)-1-pyrazin-2-ylethanone
SMILESO=C(Cc1ccccc1Cl)c1cnccn1
InChIInChI=1S/C12H9ClN2O/c13-10-4-2-1-3-9(10)7-12(16)11-8-14-5-6-15-11/h1-6,8H,7H2
InChIKeyIJBVGBLBZMRZOZ-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.56
Rot. Bonds3

About 2-(2-chlorophenyl)-1-pyrazin-2-ylethanone

2-(2-chlorophenyl)-1-pyrazin-2-ylethanone (PubChem CID 60799259) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-pyrazin-2-ylethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-pyrazin-2-ylethanone
PubChem CID60799259
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name2-(2-chlorophenyl)-1-pyrazin-2-ylethanone
SMILESO=C(Cc1ccccc1Cl)c1cnccn1
InChIInChI=1S/C12H9ClN2O/c13-10-4-2-1-3-9(10)7-12(16)11-8-14-5-6-15-11/h1-6,8H,7H2
InChIKeyIJBVGBLBZMRZOZ-UHFFFAOYSA-N
XLogP2.56
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-pyrazin-2-ylethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-pyrazin-2-ylethanone (CID 60799259) is 2-(2-chlorophenyl)-1-pyrazin-2-ylethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-pyrazin-2-ylethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-pyrazin-2-ylethanone is O=C(Cc1ccccc1Cl)c1cnccn1.
What is the InChIKey of 2-(2-chlorophenyl)-1-pyrazin-2-ylethanone?
The InChIKey is IJBVGBLBZMRZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-10-4-2-1-3-9(10)7-12(16)11-8-14-5-6-15-11/h1-6,8H,7H2.
What are the key properties of 2-(2-chlorophenyl)-1-pyrazin-2-ylethanone?
2-(2-chlorophenyl)-1-pyrazin-2-ylethanone has a molecular weight of 232.67 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-pyrazin-2-ylethanone is sourced from PubChem (CID 60799259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).