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

C8H6N4O3S — CID 6611040

IUPAC3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2ncc([N+](=O)[O-])cc2c1N
InChIInChI=1S/C8H6N4O3S/c9-5-4-1-3(12(14)15)2-11-8(4)16-6(5)7(10)13/h1-2H,9H2,(H2,10,13)
InChIKeyZUZRGXVIMFBFCV-UHFFFAOYSA-N
MW238.23 g/mol
LogP0.89
Rot. Bonds2

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

3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxamide (PubChem CID 6611040) has the molecular formula C8H6N4O3S and a molecular weight of 238.23 g/mol. Its IUPAC name is 3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxamide
PubChem CID6611040
Molecular FormulaC8H6N4O3S
Molecular Weight238.23 g/mol
Exact Mass238.02
IUPAC Name3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2ncc([N+](=O)[O-])cc2c1N
InChIInChI=1S/C8H6N4O3S/c9-5-4-1-3(12(14)15)2-11-8(4)16-6(5)7(10)13/h1-2H,9H2,(H2,10,13)
InChIKeyZUZRGXVIMFBFCV-UHFFFAOYSA-N
XLogP0.89
TPSA125.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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2-chloro-5-nitropyrimidine;2-chloropyrimidin-5-amine
CID 158095022
ethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxamide (CID 6611040) is 3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2ncc([N+](=O)[O-])cc2c1N.
What is the InChIKey of 3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZUZRGXVIMFBFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O3S/c9-5-4-1-3(12(14)15)2-11-8(4)16-6(5)7(10)13/h1-2H,9H2,(H2,10,13).
What are the key properties of 3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxamide?
3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 238.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 6611040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).