6-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-5-nitropyridine-3-carboxylic acid

C10H9N3O6S — CID 81437711

IUPAC6-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-5-nitropyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(NC2C=CS(=O)(=O)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H9N3O6S/c14-10(15)6-3-8(13(16)17)9(11-4-6)12-7-1-2-20(18,19)5-7/h1-4,7H,5H2,(H,11,12)(H,14,15)
InChIKeyLDZPUTBBAMYQGM-UHFFFAOYSA-N
MW299.26 g/mol
LogP0.41
Rot. Bonds4

About 6-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-5-nitropyridine-3-carboxylic acid

6-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-5-nitropyridine-3-carboxylic acid (PubChem CID 81437711) has the molecular formula C10H9N3O6S and a molecular weight of 299.26 g/mol. Its IUPAC name is 6-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-5-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-5-nitropyridine-3-carboxylic acid
PubChem CID81437711
Molecular FormulaC10H9N3O6S
Molecular Weight299.26 g/mol
Exact Mass299.02
IUPAC Name6-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-5-nitropyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(NC2C=CS(=O)(=O)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H9N3O6S/c14-10(15)6-3-8(13(16)17)9(11-4-6)12-7-1-2-20(18,19)5-7/h1-4,7H,5H2,(H,11,12)(H,14,15)
InChIKeyLDZPUTBBAMYQGM-UHFFFAOYSA-N
XLogP0.41
TPSA139.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-5-nitropyridine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

6-[(1,1-dioxothiolan-3-yl)amino]-5-nitropyridine-3-carboxylic acid
CID 81438166
6-(cyclooctylamino)-5-nitropyridine-3-carboxylic acid
CID 81441566
6-hydrazinyl-5-nitropyridine-3-carboxylic acid
CID 82862825
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-nitro-2-(trifluoromethyl)pyridin-4-amine
CID 106749415
6-(tert-butylamino)-5-nitropyridine-3-carboxylic acid
CID 80502721
6-[(3,3-dimethylcyclopentyl)amino]-5-nitropyridine-3-carboxylic acid
CID 114546978
6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid
CID 81437835
6-[(1,1-dioxothiolan-2-yl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 81446708
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluoro-3-nitrobenzamide
CID 60704767
6-(cyclohexylmethylamino)-5-nitropyridine-3-carboxylic acid
CID 81438306
6-[(1-methylpyrrolidin-3-yl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 81437833
6-[(5-amino-5-oxopentyl)amino]-5-nitropyridine-3-carboxylic acid
CID 106237764

Frequently Asked Questions

What is the IUPAC name of 6-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-5-nitropyridine-3-carboxylic acid?
The IUPAC name of 6-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-5-nitropyridine-3-carboxylic acid (CID 81437711) is 6-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-5-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-5-nitropyridine-3-carboxylic acid?
The canonical SMILES for 6-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-5-nitropyridine-3-carboxylic acid is O=C(O)c1cnc(NC2C=CS(=O)(=O)C2)c([N+](=O)[O-])c1.
What is the InChIKey of 6-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-5-nitropyridine-3-carboxylic acid?
The InChIKey is LDZPUTBBAMYQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O6S/c14-10(15)6-3-8(13(16)17)9(11-4-6)12-7-1-2-20(18,19)5-7/h1-4,7H,5H2,(H,11,12)(H,14,15).
What are the key properties of 6-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-5-nitropyridine-3-carboxylic acid?
6-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-5-nitropyridine-3-carboxylic acid has a molecular weight of 299.26 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-5-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 81437711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).