2-(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyridine-4-carboxylic acid

C12H7N3O3S — CID 126750649

IUPAC2-(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2nc3sccc3c(=O)[nH]2)c1
InChIInChI=1S/C12H7N3O3S/c16-10-7-2-4-19-11(7)15-9(14-10)8-5-6(12(17)18)1-3-13-8/h1-5H,(H,17,18)(H,14,15,16)
InChIKeyFENABBRLZBYAIS-UHFFFAOYSA-N
MW273.27 g/mol
LogP1.74
Rot. Bonds2

About 2-(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyridine-4-carboxylic acid

2-(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyridine-4-carboxylic acid (PubChem CID 126750649) has the molecular formula C12H7N3O3S and a molecular weight of 273.27 g/mol. Its IUPAC name is 2-(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyridine-4-carboxylic acid
PubChem CID126750649
Molecular FormulaC12H7N3O3S
Molecular Weight273.27 g/mol
Exact Mass273.02
IUPAC Name2-(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2nc3sccc3c(=O)[nH]2)c1
InChIInChI=1S/C12H7N3O3S/c16-10-7-2-4-19-11(7)15-9(14-10)8-5-6(12(17)18)1-3-13-8/h1-5H,(H,17,18)(H,14,15,16)
InChIKeyFENABBRLZBYAIS-UHFFFAOYSA-N
XLogP1.74
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyridine-4-carboxylic acid (CID 126750649) is 2-(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2nc3sccc3c(=O)[nH]2)c1.
What is the InChIKey of 2-(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyridine-4-carboxylic acid?
The InChIKey is FENABBRLZBYAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O3S/c16-10-7-2-4-19-11(7)15-9(14-10)8-5-6(12(17)18)1-3-13-8/h1-5H,(H,17,18)(H,14,15,16).
What are the key properties of 2-(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyridine-4-carboxylic acid?
2-(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyridine-4-carboxylic acid has a molecular weight of 273.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 126750649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).