5-nitro-2-[(3R)-pyrrolidin-3-yl]oxypyridine

C9H11N3O3 — CID 53255914

IUPAC5-nitro-2-[(3R)-pyrrolidin-3-yl]oxypyridine
SMILESO=[N+]([O-])c1ccc(O[C@@H]2CCNC2)nc1
InChIInChI=1S/C9H11N3O3/c13-12(14)7-1-2-9(11-5-7)15-8-3-4-10-6-8/h1-2,5,8,10H,3-4,6H2/t8-/m1/s1
InChIKeyGQHRIECAOQIFLJ-MRVPVSSYSA-N
MW209.20 g/mol
LogP0.73
Rot. Bonds3

About 5-nitro-2-[(3R)-pyrrolidin-3-yl]oxypyridine

5-nitro-2-[(3R)-pyrrolidin-3-yl]oxypyridine (PubChem CID 53255914) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 5-nitro-2-[(3R)-pyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name5-nitro-2-[(3R)-pyrrolidin-3-yl]oxypyridine
PubChem CID53255914
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name5-nitro-2-[(3R)-pyrrolidin-3-yl]oxypyridine
SMILESO=[N+]([O-])c1ccc(O[C@@H]2CCNC2)nc1
InChIInChI=1S/C9H11N3O3/c13-12(14)7-1-2-9(11-5-7)15-8-3-4-10-6-8/h1-2,5,8,10H,3-4,6H2/t8-/m1/s1
InChIKeyGQHRIECAOQIFLJ-MRVPVSSYSA-N
XLogP0.73
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-[(3R)-pyrrolidin-3-yl]oxypyridine?
The IUPAC name of 5-nitro-2-[(3R)-pyrrolidin-3-yl]oxypyridine (CID 53255914) is 5-nitro-2-[(3R)-pyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 5-nitro-2-[(3R)-pyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 5-nitro-2-[(3R)-pyrrolidin-3-yl]oxypyridine is O=[N+]([O-])c1ccc(O[C@@H]2CCNC2)nc1.
What is the InChIKey of 5-nitro-2-[(3R)-pyrrolidin-3-yl]oxypyridine?
The InChIKey is GQHRIECAOQIFLJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-12(14)7-1-2-9(11-5-7)15-8-3-4-10-6-8/h1-2,5,8,10H,3-4,6H2/t8-/m1/s1.
What are the key properties of 5-nitro-2-[(3R)-pyrrolidin-3-yl]oxypyridine?
5-nitro-2-[(3R)-pyrrolidin-3-yl]oxypyridine has a molecular weight of 209.20 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-[(3R)-pyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 53255914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).