5-nitro-2-(thiophen-3-ylmethylamino)pyridine-4-carboxylic acid

C11H9N3O4S — CID 114089874

IUPAC5-nitro-2-(thiophen-3-ylmethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(NCc2ccsc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H9N3O4S/c15-11(16)8-3-10(13-5-9(8)14(17)18)12-4-7-1-2-19-6-7/h1-3,5-6H,4H2,(H,12,13)(H,15,16)
InChIKeyJHESCIDDLIMDNV-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.36
Rot. Bonds5

About 5-nitro-2-(thiophen-3-ylmethylamino)pyridine-4-carboxylic acid

5-nitro-2-(thiophen-3-ylmethylamino)pyridine-4-carboxylic acid (PubChem CID 114089874) has the molecular formula C11H9N3O4S and a molecular weight of 279.28 g/mol. Its IUPAC name is 5-nitro-2-(thiophen-3-ylmethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-nitro-2-(thiophen-3-ylmethylamino)pyridine-4-carboxylic acid
PubChem CID114089874
Molecular FormulaC11H9N3O4S
Molecular Weight279.28 g/mol
Exact Mass279.03
IUPAC Name5-nitro-2-(thiophen-3-ylmethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(NCc2ccsc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H9N3O4S/c15-11(16)8-3-10(13-5-9(8)14(17)18)12-4-7-1-2-19-6-7/h1-3,5-6H,4H2,(H,12,13)(H,15,16)
InChIKeyJHESCIDDLIMDNV-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'}

Analyze 5-nitro-2-(thiophen-3-ylmethylamino)pyridine-4-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

5-nitro-6-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid
CID 81438718
2-(4-hydroxybutylamino)-5-nitropyridine-4-carboxylic acid
CID 114089930
3-methyl-8-nitro-N-(thiophen-3-ylmethyl)isoquinolin-5-amine
CID 102714314
5-chloro-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 63245983
4-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]phenol
CID 114332551
3-bromo-4-nitro-N-(thiophen-3-ylmethyl)aniline
CID 82862423
5-bromo-2-nitro-N-(thiophen-3-ylmethyl)aniline
CID 65343552
2-[(3-hydroxycyclohexyl)methylamino]-5-nitropyridine-4-carboxylic acid
CID 106136562
ethyl 2-nitro-5-(thiophen-3-ylmethylamino)benzoate
CID 133373967
2-[(1-amino-1-oxopropan-2-yl)amino]-5-nitropyridine-4-carboxylic acid
CID 114089839
[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232424
5-methoxy-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 103802149

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(thiophen-3-ylmethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 5-nitro-2-(thiophen-3-ylmethylamino)pyridine-4-carboxylic acid (CID 114089874) is 5-nitro-2-(thiophen-3-ylmethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-nitro-2-(thiophen-3-ylmethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 5-nitro-2-(thiophen-3-ylmethylamino)pyridine-4-carboxylic acid is O=C(O)c1cc(NCc2ccsc2)ncc1[N+](=O)[O-].
What is the InChIKey of 5-nitro-2-(thiophen-3-ylmethylamino)pyridine-4-carboxylic acid?
The InChIKey is JHESCIDDLIMDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4S/c15-11(16)8-3-10(13-5-9(8)14(17)18)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-2-(thiophen-3-ylmethylamino)pyridine-4-carboxylic acid?
5-nitro-2-(thiophen-3-ylmethylamino)pyridine-4-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-2-(thiophen-3-ylmethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114089874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).