3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

C10H8F3N3O4S — CID 69132059

IUPAC3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1sc2[nH]ccc(=O)c2c1N.O=C(O)C(F)(F)F
InChIInChI=1S/C8H7N3O2S.C2HF3O2/c9-5-4-3(12)1-2-11-8(4)14-6(5)7(10)13;3-2(4,5)1(6)7/h1-2H,9H2,(H2,10,13)(H,11,12);(H,6,7)
InChIKeyGKSXAWULYJKKFG-UHFFFAOYSA-N
MW323.25 g/mol
LogP0.90
Rot. Bonds1

About 3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 69132059) has the molecular formula C10H8F3N3O4S and a molecular weight of 323.25 g/mol. Its IUPAC name is 3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID69132059
Molecular FormulaC10H8F3N3O4S
Molecular Weight323.25 g/mol
Exact Mass323.02
IUPAC Name3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1sc2[nH]ccc(=O)c2c1N.O=C(O)C(F)(F)F
InChIInChI=1S/C8H7N3O2S.C2HF3O2/c9-5-4-3(12)1-2-11-8(4)14-6(5)7(10)13;3-2(4,5)1(6)7/h1-2H,9H2,(H2,10,13)(H,11,12);(H,6,7)
InChIKeyGKSXAWULYJKKFG-UHFFFAOYSA-N
XLogP0.90
TPSA139.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 69132059) is 3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)c1sc2[nH]ccc(=O)c2c1N.O=C(O)C(F)(F)F.
What is the InChIKey of 3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is GKSXAWULYJKKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S.C2HF3O2/c9-5-4-3(12)1-2-11-8(4)14-6(5)7(10)13;3-2(4,5)1(6)7/h1-2H,9H2,(H2,10,13)(H,11,12);(H,6,7).
What are the key properties of 3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 323.25 g/mol, XLogP of 0.90, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-oxo-7H-thieno[2,3-b]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69132059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).