Basic information
- CAS
61963-86-8- Standard SMILES
CC(=O)c1ccc(Nc2ncccc2[N+](=O)[O-])cc1- InChIKey
AMGDADWZZVMVNU-UHFFFAOYSA-N- Molecular formula
- C13H11N3O3
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.08004122
Names & identifiers
- Preferred name
- 1-{4-[(3-Nitropyridin-2-yl)amino]phenyl}ethan-1-one
- IUPAC
- 1-[4-[(3-nitro-2-pyridinyl)amino]phenyl]ethanone
Names & synonyms
61963-86-8SCHEMBL68052831-{4-[(3-Nitropyridin-2-yl)amino]phenyl}ethan-1-oneDTXSID90498538DB-1621181-[4-[(3-Nitro-2-pyridinyl)amino]phenyl]ethanone
Database identifiers
- CAS
61963-86-8- PubChem CID
- 12445366
- DTXSID
DTXSID90498538
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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