2-nitro-5-pyrrolidin-3-yloxypyridine

C9H11N3O3 — CID 82237488

IUPAC2-nitro-5-pyrrolidin-3-yloxypyridine
SMILESO=[N+]([O-])c1ccc(OC2CCNC2)cn1
InChIInChI=1S/C9H11N3O3/c13-12(14)9-2-1-7(6-11-9)15-8-3-4-10-5-8/h1-2,6,8,10H,3-5H2
InChIKeyVPAANZKUKVWQTE-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.73
Rot. Bonds3

About 2-nitro-5-pyrrolidin-3-yloxypyridine

2-nitro-5-pyrrolidin-3-yloxypyridine (PubChem CID 82237488) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-nitro-5-pyrrolidin-3-yloxypyridine.

Molecular Properties

Compound Name2-nitro-5-pyrrolidin-3-yloxypyridine
PubChem CID82237488
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2-nitro-5-pyrrolidin-3-yloxypyridine
SMILESO=[N+]([O-])c1ccc(OC2CCNC2)cn1
InChIInChI=1S/C9H11N3O3/c13-12(14)9-2-1-7(6-11-9)15-8-3-4-10-5-8/h1-2,6,8,10H,3-5H2
InChIKeyVPAANZKUKVWQTE-UHFFFAOYSA-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 2-nitro-5-pyrrolidin-3-yloxypyridine?
The IUPAC name of 2-nitro-5-pyrrolidin-3-yloxypyridine (CID 82237488) is 2-nitro-5-pyrrolidin-3-yloxypyridine.
What is the SMILES notation for 2-nitro-5-pyrrolidin-3-yloxypyridine?
The canonical SMILES for 2-nitro-5-pyrrolidin-3-yloxypyridine is O=[N+]([O-])c1ccc(OC2CCNC2)cn1.
What is the InChIKey of 2-nitro-5-pyrrolidin-3-yloxypyridine?
The InChIKey is VPAANZKUKVWQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-12(14)9-2-1-7(6-11-9)15-8-3-4-10-5-8/h1-2,6,8,10H,3-5H2.
What are the key properties of 2-nitro-5-pyrrolidin-3-yloxypyridine?
2-nitro-5-pyrrolidin-3-yloxypyridine 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 2-nitro-5-pyrrolidin-3-yloxypyridine is sourced from PubChem (CID 82237488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).