5-(6-ethoxypyrazin-2-yl)thiophene-2-carboxylic acid

C11H10N2O3S — CID 163271647

IUPAC5-(6-ethoxypyrazin-2-yl)thiophene-2-carboxylic acid
SMILESCCOc1cncc(-c2ccc(C(=O)O)s2)n1
InChIInChI=1S/C11H10N2O3S/c1-2-16-10-6-12-5-7(13-10)8-3-4-9(17-8)11(14)15/h3-6H,2H2,1H3,(H,14,15)
InChIKeyLPZZLXZDBHVIEV-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.30
Rot. Bonds4

About 5-(6-ethoxypyrazin-2-yl)thiophene-2-carboxylic acid

5-(6-ethoxypyrazin-2-yl)thiophene-2-carboxylic acid (PubChem CID 163271647) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 5-(6-ethoxypyrazin-2-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-ethoxypyrazin-2-yl)thiophene-2-carboxylic acid
PubChem CID163271647
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name5-(6-ethoxypyrazin-2-yl)thiophene-2-carboxylic acid
SMILESCCOc1cncc(-c2ccc(C(=O)O)s2)n1
InChIInChI=1S/C11H10N2O3S/c1-2-16-10-6-12-5-7(13-10)8-3-4-9(17-8)11(14)15/h3-6H,2H2,1H3,(H,14,15)
InChIKeyLPZZLXZDBHVIEV-UHFFFAOYSA-N
XLogP2.30
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-ethoxypyrazin-2-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(6-ethoxypyrazin-2-yl)thiophene-2-carboxylic acid (CID 163271647) is 5-(6-ethoxypyrazin-2-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(6-ethoxypyrazin-2-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(6-ethoxypyrazin-2-yl)thiophene-2-carboxylic acid is CCOc1cncc(-c2ccc(C(=O)O)s2)n1.
What is the InChIKey of 5-(6-ethoxypyrazin-2-yl)thiophene-2-carboxylic acid?
The InChIKey is LPZZLXZDBHVIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-2-16-10-6-12-5-7(13-10)8-3-4-9(17-8)11(14)15/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of 5-(6-ethoxypyrazin-2-yl)thiophene-2-carboxylic acid?
5-(6-ethoxypyrazin-2-yl)thiophene-2-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethoxypyrazin-2-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 163271647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).