6-(ethylamino)-5-nitropyridine-2-carboxylic acid

C8H9N3O4 — CID 114403392

IUPAC6-(ethylamino)-5-nitropyridine-2-carboxylic acid
SMILESCCNc1nc(C(=O)O)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H9N3O4/c1-2-9-7-6(11(14)15)4-3-5(10-7)8(12)13/h3-4H,2H2,1H3,(H,9,10)(H,12,13)
InChIKeyMAJTWVPGKFLXGR-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.12
Rot. Bonds4

About 6-(ethylamino)-5-nitropyridine-2-carboxylic acid

6-(ethylamino)-5-nitropyridine-2-carboxylic acid (PubChem CID 114403392) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is 6-(ethylamino)-5-nitropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(ethylamino)-5-nitropyridine-2-carboxylic acid
PubChem CID114403392
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name6-(ethylamino)-5-nitropyridine-2-carboxylic acid
SMILESCCNc1nc(C(=O)O)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H9N3O4/c1-2-9-7-6(11(14)15)4-3-5(10-7)8(12)13/h3-4H,2H2,1H3,(H,9,10)(H,12,13)
InChIKeyMAJTWVPGKFLXGR-UHFFFAOYSA-N
XLogP1.12
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.12
H-Bond Donors ≤ 52
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 6-(ethylamino)-5-nitropyridine-2-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-(octylamino)pyridine-2-carboxylic acid
CID 114404374
6-[(4-fluorophenyl)methylamino]-5-nitropyridine-2-carboxylic acid
CID 114403481
6-(4-ethylanilino)-5-nitropyridine-2-carboxylic acid
CID 114403497
6-[(4,5-dimethylthiophen-2-yl)methylamino]-5-nitropyridine-2-carboxylic acid
CID 114404236
6-(5-methylhexan-2-ylamino)-5-nitropyridine-2-carboxylic acid
CID 114404154
6-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid
CID 114404286
6-(2-morpholin-4-ylethylamino)-5-nitropyridine-2-carboxylic acid
CID 114403496
5-nitro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
CID 114404148
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
6-(2-imidazol-1-ylethylamino)-5-nitropyridine-2-carboxylic acid
CID 114403816
6-ethoxy-5-nitropyridine-2-carboxylic acid
CID 114403118
6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid
CID 106345803

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-5-nitropyridine-2-carboxylic acid?
The IUPAC name of 6-(ethylamino)-5-nitropyridine-2-carboxylic acid (CID 114403392) is 6-(ethylamino)-5-nitropyridine-2-carboxylic acid.
What is the SMILES notation for 6-(ethylamino)-5-nitropyridine-2-carboxylic acid?
The canonical SMILES for 6-(ethylamino)-5-nitropyridine-2-carboxylic acid is CCNc1nc(C(=O)O)ccc1[N+](=O)[O-].
What is the InChIKey of 6-(ethylamino)-5-nitropyridine-2-carboxylic acid?
The InChIKey is MAJTWVPGKFLXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c1-2-9-7-6(11(14)15)4-3-5(10-7)8(12)13/h3-4H,2H2,1H3,(H,9,10)(H,12,13).
What are the key properties of 6-(ethylamino)-5-nitropyridine-2-carboxylic acid?
6-(ethylamino)-5-nitropyridine-2-carboxylic acid has a molecular weight of 211.18 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-5-nitropyridine-2-carboxylic acid is sourced from PubChem (CID 114403392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).