N-(2-aminophenyl)-1-methyl-4-nitropyrrole-2-carboxamide
Basic information
- CAS
682748-53-4- Standard SMILES
Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1N- InChIKey
RQXDRDPUZQZFDZ-UHFFFAOYSA-N- Molecular formula
- C12H12N4O3
- Average molar mass
- 260.25 g/mol
- Monoisotopic mass
- 260.09094026
Names & identifiers
- Preferred name
- N-(2-aminophenyl)-1-methyl-4-nitropyrrole-2-carboxamide
- IUPAC
- N-(2-aminophenyl)-1-methyl-4-nitropyrrole-2-carboxamide
- English name
- 1H-Pyrrole-2-carboxamide,N-(2-aminophenyl)-1-methyl-4-nitro-(9CI)
- Molecular formula
- C12H12N4O3
- Molecular weight
- 260.25
Names & synonyms
682748-53-4SCHEMBL142247881H-Pyrrole-2-carboxamide, N-(2-aminophenyl)-1-methyl-4-nitro-1H-Pyrrole-2-carboxamide,N-(2-aminophenyl)-1-methyl-4-nitro-(9CI)
Database identifiers
- CAS
682748-53-4- PubChem CID
- 43600060
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Boiling point
- 385.1 · 385.1±37.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 13.12 · 13.12±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…