Basic information
- Standard SMILES
N#CNC(=NCc1ccc([N+](=O)[O-])cc1)c1cccnc1- InChIKey
MFKLQUMPDWEUJV-UHFFFAOYSA-N- Molecular formula
- C14H11N5O2
- Average molar mass
- 281.27 g/mol
Names & identifiers
- Preferred name
- N-cyano-N'-(4-nitrobenzyl)-3-pyridinecarboximidamide
- IUPAC
- N-cyano-N'-[(4-nitrophenyl)methyl]pyridine-3-carboximidamide
Names & synonyms
SCHEMBL9212356SCHEMBL9212363SCHEMBL9220146MFKLQUMPDWEUJV-UHFFFAOYSA-NN-cyano-N'-(4 nitrobenzyl)-3-pyridinecarboximidamideN-cyano-N'-(4-nitrobenzyl)-3-pyridinecarboximidamide
Database identifiers
- PubChem CID
- 19734495
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 428
Related reactions
4 records
Compound notes
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