2-thiophen-2-ylethyl 6-chloropyrazine-2-carboxylate

C11H9ClN2O2S — CID 106547524

IUPAC2-thiophen-2-ylethyl 6-chloropyrazine-2-carboxylate
SMILESO=C(OCCc1cccs1)c1cncc(Cl)n1
InChIInChI=1S/C11H9ClN2O2S/c12-10-7-13-6-9(14-10)11(15)16-4-3-8-2-1-5-17-8/h1-2,5-7H,3-4H2
InChIKeyPILIXWLVSINWRE-UHFFFAOYSA-N
MW268.72 g/mol
LogP2.59
Rot. Bonds4

About 2-thiophen-2-ylethyl 6-chloropyrazine-2-carboxylate

2-thiophen-2-ylethyl 6-chloropyrazine-2-carboxylate (PubChem CID 106547524) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.72 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl 6-chloropyrazine-2-carboxylate.

Molecular Properties

Compound Name2-thiophen-2-ylethyl 6-chloropyrazine-2-carboxylate
PubChem CID106547524
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.72 g/mol
Exact Mass268.01
IUPAC Name2-thiophen-2-ylethyl 6-chloropyrazine-2-carboxylate
SMILESO=C(OCCc1cccs1)c1cncc(Cl)n1
InChIInChI=1S/C11H9ClN2O2S/c12-10-7-13-6-9(14-10)11(15)16-4-3-8-2-1-5-17-8/h1-2,5-7H,3-4H2
InChIKeyPILIXWLVSINWRE-UHFFFAOYSA-N
XLogP2.59
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-thiophen-2-ylethyl 1-chloroisoquinoline-4-carboxylate
CID 106777636
thiophen-2-ylmethyl 6-chloropyridine-2-carboxylate
CID 63840046
2-thiophen-2-ylethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153483
2-thiophen-2-ylethyl 2,3-dichloro-5-nitrobenzoate
CID 107167083
2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate
CID 80751501
2-thiophen-2-ylethyl 3-(aminomethyl)benzoate
CID 54966662
2-thiophen-2-ylethyl 2-fluoro-3-methylbenzoate
CID 80712277
6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62233796
2-thiophen-2-ylethyl 3-amino-2-methylpropanoate
CID 62669004
2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate
CID 81413803
1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethanone
CID 83119183
2-thiophen-2-ylethyl nitrate
CID 54344199

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl 6-chloropyrazine-2-carboxylate?
The IUPAC name of 2-thiophen-2-ylethyl 6-chloropyrazine-2-carboxylate (CID 106547524) is 2-thiophen-2-ylethyl 6-chloropyrazine-2-carboxylate.
What is the SMILES notation for 2-thiophen-2-ylethyl 6-chloropyrazine-2-carboxylate?
The canonical SMILES for 2-thiophen-2-ylethyl 6-chloropyrazine-2-carboxylate is O=C(OCCc1cccs1)c1cncc(Cl)n1.
What is the InChIKey of 2-thiophen-2-ylethyl 6-chloropyrazine-2-carboxylate?
The InChIKey is PILIXWLVSINWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c12-10-7-13-6-9(14-10)11(15)16-4-3-8-2-1-5-17-8/h1-2,5-7H,3-4H2.
What are the key properties of 2-thiophen-2-ylethyl 6-chloropyrazine-2-carboxylate?
2-thiophen-2-ylethyl 6-chloropyrazine-2-carboxylate has a molecular weight of 268.72 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethyl 6-chloropyrazine-2-carboxylate is sourced from PubChem (CID 106547524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).