(2-oxo-1H-pyridin-4-yl) thiophene-2-carboxylate

C10H7NO3S — CID 14049675

IUPAC(2-oxo-1H-pyridin-4-yl) thiophene-2-carboxylate
SMILESO=C(Oc1cc[nH]c(=O)c1)c1cccs1
InChIInChI=1S/C10H7NO3S/c12-9-6-7(3-4-11-9)14-10(13)8-2-1-5-15-8/h1-6H,(H,11,12)
InChIKeySDQFXLKNOJQEDP-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.66
Rot. Bonds2

About (2-oxo-1H-pyridin-4-yl) thiophene-2-carboxylate

(2-oxo-1H-pyridin-4-yl) thiophene-2-carboxylate (PubChem CID 14049675) has the molecular formula C10H7NO3S and a molecular weight of 221.24 g/mol. Its IUPAC name is (2-oxo-1H-pyridin-4-yl) thiophene-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-1H-pyridin-4-yl) thiophene-2-carboxylate
PubChem CID14049675
Molecular FormulaC10H7NO3S
Molecular Weight221.24 g/mol
Exact Mass221.01
IUPAC Name(2-oxo-1H-pyridin-4-yl) thiophene-2-carboxylate
SMILESO=C(Oc1cc[nH]c(=O)c1)c1cccs1
InChIInChI=1S/C10H7NO3S/c12-9-6-7(3-4-11-9)14-10(13)8-2-1-5-15-8/h1-6H,(H,11,12)
InChIKeySDQFXLKNOJQEDP-UHFFFAOYSA-N
XLogP1.66
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-pyridin-4-yl) thiophene-2-carboxylate?
The IUPAC name of (2-oxo-1H-pyridin-4-yl) thiophene-2-carboxylate (CID 14049675) is (2-oxo-1H-pyridin-4-yl) thiophene-2-carboxylate.
What is the SMILES notation for (2-oxo-1H-pyridin-4-yl) thiophene-2-carboxylate?
The canonical SMILES for (2-oxo-1H-pyridin-4-yl) thiophene-2-carboxylate is O=C(Oc1cc[nH]c(=O)c1)c1cccs1.
What is the InChIKey of (2-oxo-1H-pyridin-4-yl) thiophene-2-carboxylate?
The InChIKey is SDQFXLKNOJQEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3S/c12-9-6-7(3-4-11-9)14-10(13)8-2-1-5-15-8/h1-6H,(H,11,12).
What are the key properties of (2-oxo-1H-pyridin-4-yl) thiophene-2-carboxylate?
(2-oxo-1H-pyridin-4-yl) thiophene-2-carboxylate has a molecular weight of 221.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-pyridin-4-yl) thiophene-2-carboxylate is sourced from PubChem (CID 14049675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).