6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid

C8H10N4O4 — CID 81437835

IUPAC6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid
SMILESNCCNc1ncc(C(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C8H10N4O4/c9-1-2-10-7-6(12(15)16)3-5(4-11-7)8(13)14/h3-4H,1-2,9H2,(H,10,11)(H,13,14)
InChIKeyASOXOCFVUJCHGK-UHFFFAOYSA-N
MW226.19 g/mol
LogP0.06
Rot. Bonds5

About 6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid

6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid (PubChem CID 81437835) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is 6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid
PubChem CID81437835
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid
SMILESNCCNc1ncc(C(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C8H10N4O4/c9-1-2-10-7-6(12(15)16)3-5(4-11-7)8(13)14/h3-4H,1-2,9H2,(H,10,11)(H,13,14)
InChIKeyASOXOCFVUJCHGK-UHFFFAOYSA-N
XLogP0.06
TPSA131.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 50.06
H-Bond Donors ≤ 53
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-[(5-amino-5-oxopentyl)amino]-5-nitropyridine-3-carboxylic acid
CID 106237764
6-hydrazinyl-5-nitropyridine-3-carboxylic acid
CID 82862825
6-(4-hydroxypentylamino)-5-nitropyridine-3-carboxylic acid
CID 106136487
6-[2-[methyl(propan-2-yl)amino]ethylamino]-5-nitropyridine-3-carboxylic acid
CID 81438518
6-[(5-hydroxy-4-methylpentyl)amino]-5-nitropyridine-3-carboxylic acid
CID 106161886
6-(tert-butylamino)-5-nitropyridine-3-carboxylic acid
CID 80502721
6-[(4-chlorophenyl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 81442231
6-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-nitropyridine-3-carboxylic acid
CID 81447399
5-nitro-6-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid
CID 81438718
5-nitro-6-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 81438043
6-[2-(1-methylimidazol-2-yl)ethylamino]-5-nitropyridine-3-carboxylic acid
CID 81447901
5-nitro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-3-carboxylic acid
CID 81446793

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid?
The IUPAC name of 6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid (CID 81437835) is 6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid is NCCNc1ncc(C(=O)O)cc1[N+](=O)[O-].
What is the InChIKey of 6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid?
The InChIKey is ASOXOCFVUJCHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4/c9-1-2-10-7-6(12(15)16)3-5(4-11-7)8(13)14/h3-4H,1-2,9H2,(H,10,11)(H,13,14).
What are the key properties of 6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid?
6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid has a molecular weight of 226.19 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 81437835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).