5-(3-Hydroxypyrrolidin-1-yl)-2-nitropyridine

HCID 62918331

Notes Reactions

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Basic information

Standard SMILES: O=[N+]([O-])c1ccc(N2CCC(O)C2)cn1
InChIKey: ZUHDWUYCYKDTAC-UHFFFAOYSA-N
Molecular formula: C9H11N3O3
Average molar mass: 209.2 g/mol
Monoisotopic mass: 209.08004122

Names & identifiers

Preferred name: 5-(3-Hydroxypyrrolidin-1-yl)-2-nitropyridine
IUPAC: 1-(6-nitro-3-pyridinyl)pyrrolidin-3-ol

Names & synonyms

5-(3-hydroxypyrrolidin-1-yl)-2-nitropyridine884343-36-6SCHEMBL2793032ZUHDWUYCYKDTAC-UHFFFAOYSA-NAKOS0122151921-(6-nitro-3-pyridinyl)-3-Pyrrolidinol1-(6-nitropyridine-3-yl)-pyrrolidin-3-olDB-389785

Database identifiers

PubChem CID: 62918331

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 82.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 243

Related reactions

2 records

New reaction record

HRID 283644As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 2236192As productuspto-grants-2010_05

Compound notes

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