5-nitro-6-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid

C11H9N3O4S — CID 81438718

IUPAC5-nitro-6-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(NCc2ccsc2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H9N3O4S/c15-11(16)8-3-9(14(17)18)10(13-5-8)12-4-7-1-2-19-6-7/h1-3,5-6H,4H2,(H,12,13)(H,15,16)
InChIKeyDXRHIUXFOFBXMY-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.36
Rot. Bonds5

About 5-nitro-6-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid

5-nitro-6-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid (PubChem CID 81438718) has the molecular formula C11H9N3O4S and a molecular weight of 279.28 g/mol. Its IUPAC name is 5-nitro-6-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-nitro-6-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid
PubChem CID81438718
Molecular FormulaC11H9N3O4S
Molecular Weight279.28 g/mol
Exact Mass279.03
IUPAC Name5-nitro-6-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(NCc2ccsc2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H9N3O4S/c15-11(16)8-3-9(14(17)18)10(13-5-8)12-4-7-1-2-19-6-7/h1-3,5-6H,4H2,(H,12,13)(H,15,16)
InChIKeyDXRHIUXFOFBXMY-UHFFFAOYSA-N
XLogP2.36
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.36
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

6-[(4-chlorophenyl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 81442231
6-[(4-methylphenyl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 81442087
5-nitro-2-(thiophen-3-ylmethylamino)pyridine-4-carboxylic acid
CID 114089874
6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid
CID 81437835
6-[(2-methylphenyl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 81442374
6-(tert-butylamino)-5-nitropyridine-3-carboxylic acid
CID 80502721
6-hydrazinyl-5-nitropyridine-3-carboxylic acid
CID 82862825
6-[(3-methyl-1,2-oxazol-5-yl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 81438582
6-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 106034578
6-[(5-amino-5-oxopentyl)amino]-5-nitropyridine-3-carboxylic acid
CID 106237764
5-nitro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-3-carboxylic acid
CID 81446793
6-(4-hydroxypentylamino)-5-nitropyridine-3-carboxylic acid
CID 106136487

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-nitro-6-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid (CID 81438718) is 5-nitro-6-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-nitro-6-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-nitro-6-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid is O=C(O)c1cnc(NCc2ccsc2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-nitro-6-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid?
The InChIKey is DXRHIUXFOFBXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4S/c15-11(16)8-3-9(14(17)18)10(13-5-8)12-4-7-1-2-19-6-7/h1-3,5-6H,4H2,(H,12,13)(H,15,16).
What are the key properties of 5-nitro-6-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid?
5-nitro-6-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid has a molecular weight of 279.28 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81438718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).