3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid

C11H8N2O3S — CID 16773059

IUPAC3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid
SMILESO=C(Nc1ccsc1C(=O)O)c1cccnc1
InChIInChI=1S/C11H8N2O3S/c14-10(7-2-1-4-12-6-7)13-8-3-5-17-9(8)11(15)16/h1-6H,(H,13,14)(H,15,16)
InChIKeyUPOKLRUVGHHTMH-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.09
Rot. Bonds3

About 3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid

3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid (PubChem CID 16773059) has the molecular formula C11H8N2O3S and a molecular weight of 248.26 g/mol. Its IUPAC name is 3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid
PubChem CID16773059
Molecular FormulaC11H8N2O3S
Molecular Weight248.26 g/mol
Exact Mass248.03
IUPAC Name3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid
SMILESO=C(Nc1ccsc1C(=O)O)c1cccnc1
InChIInChI=1S/C11H8N2O3S/c14-10(7-2-1-4-12-6-7)13-8-3-5-17-9(8)11(15)16/h1-6H,(H,13,14)(H,15,16)
InChIKeyUPOKLRUVGHHTMH-UHFFFAOYSA-N
XLogP2.09
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid?
The IUPAC name of 3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid (CID 16773059) is 3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid is O=C(Nc1ccsc1C(=O)O)c1cccnc1.
What is the InChIKey of 3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid?
The InChIKey is UPOKLRUVGHHTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3S/c14-10(7-2-1-4-12-6-7)13-8-3-5-17-9(8)11(15)16/h1-6H,(H,13,14)(H,15,16).
What are the key properties of 3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid?
3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid has a molecular weight of 248.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 16773059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).