6-(2-imidazol-1-ylethylamino)-5-nitropyridine-2-carboxylic acid

C11H11N5O4 — CID 114403816

IUPAC6-(2-imidazol-1-ylethylamino)-5-nitropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c(NCCn2ccnc2)n1
InChIInChI=1S/C11H11N5O4/c17-11(18)8-1-2-9(16(19)20)10(14-8)13-4-6-15-5-3-12-7-15/h1-3,5,7H,4,6H2,(H,13,14)(H,17,18)
InChIKeyUEVSRZADQHXYRW-UHFFFAOYSA-N
MW277.24 g/mol
LogP1.00
Rot. Bonds6

About 6-(2-imidazol-1-ylethylamino)-5-nitropyridine-2-carboxylic acid

6-(2-imidazol-1-ylethylamino)-5-nitropyridine-2-carboxylic acid (PubChem CID 114403816) has the molecular formula C11H11N5O4 and a molecular weight of 277.24 g/mol. Its IUPAC name is 6-(2-imidazol-1-ylethylamino)-5-nitropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-imidazol-1-ylethylamino)-5-nitropyridine-2-carboxylic acid
PubChem CID114403816
Molecular FormulaC11H11N5O4
Molecular Weight277.24 g/mol
Exact Mass277.08
IUPAC Name6-(2-imidazol-1-ylethylamino)-5-nitropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c(NCCn2ccnc2)n1
InChIInChI=1S/C11H11N5O4/c17-11(18)8-1-2-9(16(19)20)10(14-8)13-4-6-15-5-3-12-7-15/h1-3,5,7H,4,6H2,(H,13,14)(H,17,18)
InChIKeyUEVSRZADQHXYRW-UHFFFAOYSA-N
XLogP1.00
TPSA123.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 51.00
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'}

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Related Compounds

N-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine
CID 81138480
2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80808353
6-(2-morpholin-4-ylethylamino)-5-nitropyridine-2-carboxylic acid
CID 114403496
6-(ethylamino)-5-nitropyridine-2-carboxylic acid
CID 114403392
5-nitro-6-(octylamino)pyridine-2-carboxylic acid
CID 114404374
N-(2-imidazol-1-ylethyl)-3-methyl-4-nitroaniline
CID 60969123
N-(2-imidazol-1-ylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66280700
5-chloro-N-(2-imidazol-1-ylethyl)-2-nitrobenzamide
CID 60630197
5-nitro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
CID 114404148
2-chloro-N-(2-imidazol-1-ylethyl)-6-nitroaniline
CID 62084776
6-[(4-fluorophenyl)methylamino]-5-nitropyridine-2-carboxylic acid
CID 114403481
2-(3-imidazol-1-ylpropylamino)pyrimidine-4-carboxylic acid
CID 107553286

Frequently Asked Questions

What is the IUPAC name of 6-(2-imidazol-1-ylethylamino)-5-nitropyridine-2-carboxylic acid?
The IUPAC name of 6-(2-imidazol-1-ylethylamino)-5-nitropyridine-2-carboxylic acid (CID 114403816) is 6-(2-imidazol-1-ylethylamino)-5-nitropyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-imidazol-1-ylethylamino)-5-nitropyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-imidazol-1-ylethylamino)-5-nitropyridine-2-carboxylic acid is O=C(O)c1ccc([N+](=O)[O-])c(NCCn2ccnc2)n1.
What is the InChIKey of 6-(2-imidazol-1-ylethylamino)-5-nitropyridine-2-carboxylic acid?
The InChIKey is UEVSRZADQHXYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O4/c17-11(18)8-1-2-9(16(19)20)10(14-8)13-4-6-15-5-3-12-7-15/h1-3,5,7H,4,6H2,(H,13,14)(H,17,18).
What are the key properties of 6-(2-imidazol-1-ylethylamino)-5-nitropyridine-2-carboxylic acid?
6-(2-imidazol-1-ylethylamino)-5-nitropyridine-2-carboxylic acid has a molecular weight of 277.24 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-imidazol-1-ylethylamino)-5-nitropyridine-2-carboxylic acid is sourced from PubChem (CID 114403816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).