4-nitro-2-pyrrolidin-3-yloxypyridine

C9H11N3O3 — CID 62349345

IUPAC4-nitro-2-pyrrolidin-3-yloxypyridine
SMILESO=[N+]([O-])c1ccnc(OC2CCNC2)c1
InChIInChI=1S/C9H11N3O3/c13-12(14)7-1-4-11-9(5-7)15-8-2-3-10-6-8/h1,4-5,8,10H,2-3,6H2
InChIKeyJIORIAONMUCTBR-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.73
Rot. Bonds3

About 4-nitro-2-pyrrolidin-3-yloxypyridine

4-nitro-2-pyrrolidin-3-yloxypyridine (PubChem CID 62349345) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-nitro-2-pyrrolidin-3-yloxypyridine.

Molecular Properties

Compound Name4-nitro-2-pyrrolidin-3-yloxypyridine
PubChem CID62349345
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name4-nitro-2-pyrrolidin-3-yloxypyridine
SMILESO=[N+]([O-])c1ccnc(OC2CCNC2)c1
InChIInChI=1S/C9H11N3O3/c13-12(14)7-1-4-11-9(5-7)15-8-2-3-10-6-8/h1,4-5,8,10H,2-3,6H2
InChIKeyJIORIAONMUCTBR-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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Related Compounds

5-nitro-2-[(3R)-pyrrolidin-3-yl]oxypyridine
CID 53255914
4-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 71638571
3-(2-fluoro-4-nitrophenoxy)pyrrolidine
CID 62328282
2-methyl-3-nitro-6-pyrrolidin-3-yloxypyridine
CID 66883552
3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 53255983
5-nitro-2-[(3S)-pyrrolidin-3-yl]oxy-1,3-benzoxazole;hydrochloride
CID 71635918
5-nitro-2-pyrrolidin-3-yloxy-1,3-benzoxazole;hydrochloride
CID 71635922
4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304533
2-[(3R)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 71302121
2-nitro-5-pyrrolidin-3-yloxypyridine
CID 82237488
3-(3-methyl-5-nitrophenoxy)pyrrolidine
CID 112649692
3-(2-iodo-4-nitrophenoxy)piperidine
CID 66093717

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-pyrrolidin-3-yloxypyridine?
The IUPAC name of 4-nitro-2-pyrrolidin-3-yloxypyridine (CID 62349345) is 4-nitro-2-pyrrolidin-3-yloxypyridine.
What is the SMILES notation for 4-nitro-2-pyrrolidin-3-yloxypyridine?
The canonical SMILES for 4-nitro-2-pyrrolidin-3-yloxypyridine is O=[N+]([O-])c1ccnc(OC2CCNC2)c1.
What is the InChIKey of 4-nitro-2-pyrrolidin-3-yloxypyridine?
The InChIKey is JIORIAONMUCTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-12(14)7-1-4-11-9(5-7)15-8-2-3-10-6-8/h1,4-5,8,10H,2-3,6H2.
What are the key properties of 4-nitro-2-pyrrolidin-3-yloxypyridine?
4-nitro-2-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 4-nitro-2-pyrrolidin-3-yloxypyridine is sourced from PubChem (CID 62349345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).