Basic information
- Standard SMILES
COCC(C)Nc1nccc(-c2ccc(Cl)cc2Cl)c1[N+](=O)[O-]- InChIKey
OBTRGLIIXZDSHS-UHFFFAOYSA-N- Molecular formula
- C15H15Cl2N3O3
- Average molar mass
- 356.2 g/mol
- Monoisotopic mass
- 355.0490467
Names & identifiers
- Preferred name
- [4-(2,4-Dichloro-phenyl)-3-nitro-pyridin-2-yl]-(2-methoxy-1-methyl-ethyl)-amine
- IUPAC
- 4-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)-3-nitropyridin-2-amine
Names & synonyms
SCHEMBL6082141OBTRGLIIXZDSHS-UHFFFAOYSA-N[4-(2,4-dichloro-phenyl)-3-nitro-pyridin-2-yl]-(2-methoxy-1-methyl-ethyl)-amine
Database identifiers
- PubChem CID
- 22052080
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 397
Related reactions
4 records
Compound notes
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