Basic information
- CAS
175653-47-1- Standard SMILES
O=C(Nc1ccncc1)c1ccccc1[N+](=O)[O-]- InChIKey
OVXOOHFWTAEGEE-UHFFFAOYSA-N- Molecular formula
- C12H9N3O3
- Average molar mass
- 243.22 g/mol
- Monoisotopic mass
- 243.06439116
Names & identifiers
- Preferred name
- 2-Nitro-N-4-pyridinylbenzamide
- IUPAC
- 2-nitro-N-pyridin-4-ylbenzamide
Names & synonyms
2-Nitro-N-4-pyridinylbenzamide175653-47-1RefChem:2643122-nitro-N-(pyridin-4-yl)benzamide2-nitro-N-pyridin-4-ylbenzamide2-nitro-N-(4-pyridinyl)benzamideOprea1_283074Oprea1_629299MLS000856447SCHEMBL8114708CHEMBL1595937DTXSID601306762
Show more names
HMS2686F21STK006401AKOS000629544SMR000279392(2-nitrophenyl)-N-(4-pyridyl)carboxamideST50693316AA-504/32993054SR-01000396293
Database identifiers
- CAS
175653-47-1- PubChem CID
- 766646
- DTXSID
DTXSID601306762- ChEMBL
CHEMBL1595937
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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