N-(2,4-Dimethylphenyl)-3-nitropyridin-2-amine
Basic information
- CAS
61963-72-2- Standard SMILES
Cc1ccc(Nc2ncccc2[N+](=O)[O-])c(C)c1- InChIKey
BPLLINLNURNMJJ-UHFFFAOYSA-N- Molecular formula
- C13H13N3O2
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.10077667
Names & identifiers
- Preferred name
- N-(2,4-Dimethylphenyl)-3-nitropyridin-2-amine
- IUPAC
- N-(2,4-dimethylphenyl)-3-nitropyridin-2-amine
Names & synonyms
N-(2,4-Dimethylphenyl)-3-nitropyridin-2-amine61963-72-2DTXSID40498528
Database identifiers
- CAS
61963-72-2- PubChem CID
- 12445352
- DTXSID
DTXSID40498528
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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