[2-(2,4-dichlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate

C13H8Cl2N2O3 — CID 2169348

IUPAC[2-(2,4-dichlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(OCC(=O)c1ccc(Cl)cc1Cl)c1cnccn1
InChIInChI=1S/C13H8Cl2N2O3/c14-8-1-2-9(10(15)5-8)12(18)7-20-13(19)11-6-16-3-4-17-11/h1-6H,7H2
InChIKeyTZNYTAFLMZPEQZ-UHFFFAOYSA-N
MW311.12 g/mol
LogP2.82
Rot. Bonds4

About [2-(2,4-dichlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate

[2-(2,4-dichlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 2169348) has the molecular formula C13H8Cl2N2O3 and a molecular weight of 311.12 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID2169348
Molecular FormulaC13H8Cl2N2O3
Molecular Weight311.12 g/mol
Exact Mass309.99
IUPAC Name[2-(2,4-dichlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(OCC(=O)c1ccc(Cl)cc1Cl)c1cnccn1
InChIInChI=1S/C13H8Cl2N2O3/c14-8-1-2-9(10(15)5-8)12(18)7-20-13(19)11-6-16-3-4-17-11/h1-6H,7H2
InChIKeyTZNYTAFLMZPEQZ-UHFFFAOYSA-N
XLogP2.82
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-(2,4-dichlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate (CID 2169348) is [2-(2,4-dichlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-(2,4-dichlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate is O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1cnccn1.
What is the InChIKey of [2-(2,4-dichlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is TZNYTAFLMZPEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O3/c14-8-1-2-9(10(15)5-8)12(18)7-20-13(19)11-6-16-3-4-17-11/h1-6H,7H2.
What are the key properties of [2-(2,4-dichlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate?
[2-(2,4-dichlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 311.12 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 2169348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).