[2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate

C11H7ClN2O3S — CID 2630084

IUPAC[2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(OCC(=O)c1ccc(Cl)s1)c1cnccn1
InChIInChI=1S/C11H7ClN2O3S/c12-10-2-1-9(18-10)8(15)6-17-11(16)7-5-13-3-4-14-7/h1-5H,6H2
InChIKeyCQGLOBYRKBTUPF-UHFFFAOYSA-N
MW282.71 g/mol
LogP2.23
Rot. Bonds4

About [2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 2630084) has the molecular formula C11H7ClN2O3S and a molecular weight of 282.71 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID2630084
Molecular FormulaC11H7ClN2O3S
Molecular Weight282.71 g/mol
Exact Mass281.99
IUPAC Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(OCC(=O)c1ccc(Cl)s1)c1cnccn1
InChIInChI=1S/C11H7ClN2O3S/c12-10-2-1-9(18-10)8(15)6-17-11(16)7-5-13-3-4-14-7/h1-5H,6H2
InChIKeyCQGLOBYRKBTUPF-UHFFFAOYSA-N
XLogP2.23
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate (CID 2630084) is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate is O=C(OCC(=O)c1ccc(Cl)s1)c1cnccn1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is CQGLOBYRKBTUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3S/c12-10-2-1-9(18-10)8(15)6-17-11(16)7-5-13-3-4-14-7/h1-5H,6H2.
What are the key properties of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate?
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 282.71 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 2630084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).