Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(OC2CCN(c3ccncc3)C2)nc1- InChIKey
LICRLCSHKCLTKY-UHFFFAOYSA-N- Molecular formula
- C14H14N4O3
- Average molar mass
- 286.29 g/mol
Names & identifiers
- Preferred name
- 1-(4-Pyridyl)-3-(5-nitro-2-pyridyloxy)pyrrolidine
- IUPAC
- 5-nitro-2-(1-pyridin-4-ylpyrrolidin-3-yl)oxypyridine
Names & synonyms
SCHEMBL5634035LICRLCSHKCLTKY-UHFFFAOYSA-N1-(4-pyridyl)-3-(5-nitro-2-pyridyloxy)pyrrolidine
Database identifiers
- PubChem CID
- 18357108
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 357
Related reactions
2 records
Linked notes
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