1-(6-hydrazinylpyridine-3-carbonyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid

C10H10N4O7S — CID 87184967

IUPAC1-(6-hydrazinylpyridine-3-carbonyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid
SMILESNNc1ccc(C(=O)ON2C(=O)CC(S(=O)(=O)O)C2=O)cn1
InChIInChI=1S/C10H10N4O7S/c11-13-7-2-1-5(4-12-7)10(17)21-14-8(15)3-6(9(14)16)22(18,19)20/h1-2,4,6H,3,11H2,(H,12,13)(H,18,19,20)
InChIKeyXKDDGPGNKRFFQK-UHFFFAOYSA-N
MW330.28 g/mol
LogP-1.55
Rot. Bonds4

About 1-(6-hydrazinylpyridine-3-carbonyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid

1-(6-hydrazinylpyridine-3-carbonyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid (PubChem CID 87184967) has the molecular formula C10H10N4O7S and a molecular weight of 330.28 g/mol. Its IUPAC name is 1-(6-hydrazinylpyridine-3-carbonyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid.

Molecular Properties

Compound Name1-(6-hydrazinylpyridine-3-carbonyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid
PubChem CID87184967
Molecular FormulaC10H10N4O7S
Molecular Weight330.28 g/mol
Exact Mass330.03
IUPAC Name1-(6-hydrazinylpyridine-3-carbonyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid
SMILESNNc1ccc(C(=O)ON2C(=O)CC(S(=O)(=O)O)C2=O)cn1
InChIInChI=1S/C10H10N4O7S/c11-13-7-2-1-5(4-12-7)10(17)21-14-8(15)3-6(9(14)16)22(18,19)20/h1-2,4,6H,3,11H2,(H,12,13)(H,18,19,20)
InChIKeyXKDDGPGNKRFFQK-UHFFFAOYSA-N
XLogP-1.55
TPSA168.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Succinimidyl 6-hydrazinonicotinate
CID 125581
(2,5-Dioxopyrrolidin-1-yl) 6-hydrazinylpyridine-3-carboxylate
CID 125582
Succinimidyl hydrazinonicotinate
CID 18517146
Succinimidyl 6-(2-benzylidenehydrazinyl)nicotinate
CID 74057382
2-[(E)-[[5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-2-pyridinyl]hydrazinylidene]methyl]benzenesulfonic acid
CID 9803267
(2,5-Dioxopyrrolidin-1-yl) 6-hydrazinylpyridine-3-carboxylate;propan-2-ylidenehydrazine
CID 9836845
2,5-Dioxopyrrolidin-1-yl 6-(2-(tert-butoxycarbonyl)hydrazinyl)nicotinate
CID 15343047
(2,5-dioxopyrrolidin-1-yl) 6-[(2E)-2-(pyridin-2-ylmethylidene)hydrazinyl]pyridine-3-carboxylate
CID 15515415
(2,5-Dioxopyrrolidin-1-yl) 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 18517145
(2,5-Dioxopyrrolidin-1-yl) 6-[2-(2-formylphenyl)hydrazinyl]pyridine-3-carboxylate
CID 19366327
(2,5-Dioxopyrrolidin-1-yl) 6-(2-phenacylhydrazinyl)pyridine-3-carboxylate
CID 19366328
(2,5-Dioxopyrrolidin-1-yl) 6-[2-(2-oxocyclopentyl)hydrazinyl]pyridine-3-carboxylate
CID 19366329

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydrazinylpyridine-3-carbonyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid?
The IUPAC name of 1-(6-hydrazinylpyridine-3-carbonyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid (CID 87184967) is 1-(6-hydrazinylpyridine-3-carbonyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid.
What is the SMILES notation for 1-(6-hydrazinylpyridine-3-carbonyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid?
The canonical SMILES for 1-(6-hydrazinylpyridine-3-carbonyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid is NNc1ccc(C(=O)ON2C(=O)CC(S(=O)(=O)O)C2=O)cn1.
What is the InChIKey of 1-(6-hydrazinylpyridine-3-carbonyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid?
The InChIKey is XKDDGPGNKRFFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O7S/c11-13-7-2-1-5(4-12-7)10(17)21-14-8(15)3-6(9(14)16)22(18,19)20/h1-2,4,6H,3,11H2,(H,12,13)(H,18,19,20).
What are the key properties of 1-(6-hydrazinylpyridine-3-carbonyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid?
1-(6-hydrazinylpyridine-3-carbonyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid has a molecular weight of 330.28 g/mol, XLogP of -1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydrazinylpyridine-3-carbonyl)oxy-2,5-dioxopyrrolidine-3-sulfonic acid is sourced from PubChem (CID 87184967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).