Basic information
- Standard SMILES
CC(=O)NCCNc1nc(Cl)ccc1[N+](=O)[O-]- InChIKey
TULKLHQHDLMLKG-UHFFFAOYSA-N- Molecular formula
- C9H11ClN4O3
- Average molar mass
- 258.66 g/mol
Names & identifiers
- Preferred name
- N-(2-(6-chloro-3-nitropyridin-2-ylamino)ethyl)acetamide
- IUPAC
- N-[2-[(6-chloro-3-nitro-2-pyridinyl)amino]ethyl]acetamide
Names & synonyms
N-(2-(6-chloro-3-nitropyridin-2-ylamino)ethyl)acetamideSCHEMBL906275TULKLHQHDLMLKG-UHFFFAOYSA-NAKOS005851715
Database identifiers
- PubChem CID
- 43553026
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 284
Related reactions
4 records
Compound notes
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