[2-(4-chlorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C14H11ClN2O3 — CID 7950186

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H11ClN2O3/c1-9-6-17-12(7-16-9)14(19)20-8-13(18)10-2-4-11(15)5-3-10/h2-7H,8H2,1H3
InChIKeyWLGXOJNQVGUTNQ-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.48
Rot. Bonds4

About [2-(4-chlorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-(4-chlorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 7950186) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
PubChem CID7950186
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H11ClN2O3/c1-9-6-17-12(7-16-9)14(19)20-8-13(18)10-2-4-11(15)5-3-10/h2-7H,8H2,1H3
InChIKeyWLGXOJNQVGUTNQ-UHFFFAOYSA-N
XLogP2.48
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 7950186) is [2-(4-chlorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCC(=O)c2ccc(Cl)cc2)cn1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
The InChIKey is WLGXOJNQVGUTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-9-6-17-12(7-16-9)14(19)20-8-13(18)10-2-4-11(15)5-3-10/h2-7H,8H2,1H3.
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate?
[2-(4-chlorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 290.71 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 7950186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).