[2-(4-chlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate

C13H9ClN2O3 — CID 882374

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClN2O3/c14-10-3-1-9(2-4-10)12(17)8-19-13(18)11-7-15-5-6-16-11/h1-7H,8H2
InChIKeyRBWGFUGSDXYAIH-UHFFFAOYSA-N
MW276.68 g/mol
LogP2.17
Rot. Bonds4

About [2-(4-chlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate

[2-(4-chlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 882374) has the molecular formula C13H9ClN2O3 and a molecular weight of 276.68 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID882374
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClN2O3/c14-10-3-1-9(2-4-10)12(17)8-19-13(18)11-7-15-5-6-16-11/h1-7H,8H2
InChIKeyRBWGFUGSDXYAIH-UHFFFAOYSA-N
XLogP2.17
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-Dichlorophenyl)-2-oxoethyl 2-pyrazinecarboxylate
CID 2169348
[2-(4-Fluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950188
(1-Oxo-1-phenylpropan-2-yl) pyrazine-2-carboxylate
CID 24687258
2-(Naphthalen-1-yl)-2-oxoethyl 5-methylpyrazine-2-carboxylate
CID 24687449
2-(3,4-Dimethylphenyl)-2-oxoethyl pyrazine-2-carboxylate
CID 761855
2-Oxo-2-phenylethyl 2-pyrazinecarboxylate
CID 647387
2-Oxo-2-(5,6,7,8-tetrahydro-2-naphthalenyl)ethyl 2-pyrazinecarboxylate
CID 653324
3,4-Dichlorobenzyl 2-pyrazinecarboxylate
CID 891422
[2-Oxo-2-(4-phenylphenyl)ethyl] pyrazine-2-carboxylate
CID 686192
2-(4-Chloro-3-nitrophenyl)-2-oxoethyl pyrazine-2-carboxylate
CID 921731
[2-(4-Ethylphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2430350
[2-(3,4-Difluorophenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950006

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate (CID 882374) is [2-(4-chlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate is O=C(COC(=O)c1cnccn1)c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is RBWGFUGSDXYAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c14-10-3-1-9(2-4-10)12(17)8-19-13(18)11-7-15-5-6-16-11/h1-7H,8H2.
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate?
[2-(4-chlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 276.68 g/mol, XLogP of 2.17, 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] pyrazine-2-carboxylate is sourced from PubChem (CID 882374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).