3-amino-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid

C14H10N2O3S — CID 141082039

IUPAC3-amino-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESNc1c(C(=O)O)sc2c1ccc(=O)n2-c1ccccc1
InChIInChI=1S/C14H10N2O3S/c15-11-9-6-7-10(17)16(8-4-2-1-3-5-8)13(9)20-12(11)14(18)19/h1-7H,15H2,(H,18,19)
InChIKeyHNQKBJLLLPHDDB-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.33
Rot. Bonds2

About 3-amino-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid

3-amino-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 141082039) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-amino-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID141082039
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name3-amino-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESNc1c(C(=O)O)sc2c1ccc(=O)n2-c1ccccc1
InChIInChI=1S/C14H10N2O3S/c15-11-9-6-7-10(17)16(8-4-2-1-3-5-8)13(9)20-12(11)14(18)19/h1-7H,15H2,(H,18,19)
InChIKeyHNQKBJLLLPHDDB-UHFFFAOYSA-N
XLogP2.33
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid (CID 141082039) is 3-amino-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid is Nc1c(C(=O)O)sc2c1ccc(=O)n2-c1ccccc1.
What is the InChIKey of 3-amino-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is HNQKBJLLLPHDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c15-11-9-6-7-10(17)16(8-4-2-1-3-5-8)13(9)20-12(11)14(18)19/h1-7H,15H2,(H,18,19).
What are the key properties of 3-amino-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid?
3-amino-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 286.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 141082039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).