5-nitrothieno[2,3-b]pyridine-6-carboxamide

C8H5N3O3S — CID 14612053

IUPAC5-nitrothieno[2,3-b]pyridine-6-carboxamide
SMILESNC(=O)c1nc2sccc2cc1[N+](=O)[O-]
InChIInChI=1S/C8H5N3O3S/c9-7(12)6-5(11(13)14)3-4-1-2-15-8(4)10-6/h1-3H,(H2,9,12)
InChIKeyLVIIKGWQYHXSPJ-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.30
Rot. Bonds2

About 5-nitrothieno[2,3-b]pyridine-6-carboxamide

5-nitrothieno[2,3-b]pyridine-6-carboxamide (PubChem CID 14612053) has the molecular formula C8H5N3O3S and a molecular weight of 223.21 g/mol. Its IUPAC name is 5-nitrothieno[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name5-nitrothieno[2,3-b]pyridine-6-carboxamide
PubChem CID14612053
Molecular FormulaC8H5N3O3S
Molecular Weight223.21 g/mol
Exact Mass223.01
IUPAC Name5-nitrothieno[2,3-b]pyridine-6-carboxamide
SMILESNC(=O)c1nc2sccc2cc1[N+](=O)[O-]
InChIInChI=1S/C8H5N3O3S/c9-7(12)6-5(11(13)14)3-4-1-2-15-8(4)10-6/h1-3H,(H2,9,12)
InChIKeyLVIIKGWQYHXSPJ-UHFFFAOYSA-N
XLogP1.30
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-nitrothieno[2,3-b]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-nitrothieno[2,3-b]pyridine-6-carboxamide?
The IUPAC name of 5-nitrothieno[2,3-b]pyridine-6-carboxamide (CID 14612053) is 5-nitrothieno[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 5-nitrothieno[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for 5-nitrothieno[2,3-b]pyridine-6-carboxamide is NC(=O)c1nc2sccc2cc1[N+](=O)[O-].
What is the InChIKey of 5-nitrothieno[2,3-b]pyridine-6-carboxamide?
The InChIKey is LVIIKGWQYHXSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O3S/c9-7(12)6-5(11(13)14)3-4-1-2-15-8(4)10-6/h1-3H,(H2,9,12).
What are the key properties of 5-nitrothieno[2,3-b]pyridine-6-carboxamide?
5-nitrothieno[2,3-b]pyridine-6-carboxamide has a molecular weight of 223.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitrothieno[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 14612053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).