Basic information
- Standard SMILES
CO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cn2)C1- InChIKey
MDNLAMWMSHTYHD-NSHDSACASA-N- Molecular formula
- C11H15N3O3
- Average molar mass
- 237.25 g/mol
Names & identifiers
- Preferred name
- 2-((S)-3-Methoxy-pyrrolidin-1-ylmethyl)-5-nitro-pyridine
- IUPAC
- 2-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-5-nitropyridine
Names & synonyms
SCHEMBL15974314MDNLAMWMSHTYHD-NSHDSACASA-N2-((S)-3-Methoxy-pyrrolidin-1-ylmethyl)-5-nitro-pyridine
Database identifiers
- PubChem CID
- 90358786
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Related reactions
2 records
Compound notes
Loading…