5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate

C10H6NO3S- — CID 2052637

IUPAC5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate
SMILESO=C([O-])c1ccc(-c2ccc(=O)[nH]c2)s1
InChIInChI=1S/C10H7NO3S/c12-9-4-1-6(5-11-9)7-2-3-8(15-7)10(13)14/h1-5H,(H,11,12)(H,13,14)/p-1
InChIKeyLUQAUEBXWGBRTH-UHFFFAOYSA-M
MW220.23 g/mol
LogP0.47
Rot. Bonds2

About 5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate

5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate (PubChem CID 2052637) has the molecular formula C10H6NO3S- and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Name5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate
PubChem CID2052637
Molecular FormulaC10H6NO3S-
Molecular Weight220.23 g/mol
Exact Mass220.01
IUPAC Name5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate
SMILESO=C([O-])c1ccc(-c2ccc(=O)[nH]c2)s1
InChIInChI=1S/C10H7NO3S/c12-9-4-1-6(5-11-9)7-2-3-8(15-7)10(13)14/h1-5H,(H,11,12)(H,13,14)/p-1
InChIKeyLUQAUEBXWGBRTH-UHFFFAOYSA-M
XLogP0.47
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate?
The IUPAC name of 5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate (CID 2052637) is 5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate.
What is the SMILES notation for 5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate?
The canonical SMILES for 5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate is O=C([O-])c1ccc(-c2ccc(=O)[nH]c2)s1.
What is the InChIKey of 5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate?
The InChIKey is LUQAUEBXWGBRTH-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H7NO3S/c12-9-4-1-6(5-11-9)7-2-3-8(15-7)10(13)14/h1-5H,(H,11,12)(H,13,14)/p-1.
What are the key properties of 5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate?
5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate is sourced from PubChem (CID 2052637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).