Basic information
- CAS
79280-29-8- Standard SMILES
O=C1c2cc([N+](=O)[O-])ccc2-c2ncccc21- InChIKey
UHKGMCVBCVDFKM-UHFFFAOYSA-N- Molecular formula
- C12H6N2O3
- Average molar mass
- 226.19 g/mol
- Monoisotopic mass
- 226.03784206
Overview
7-nitro-5-indeno[1,2-b]pyridinone is a C-nitro compound.
Names & identifiers
- Preferred name
- 7-Nitro-5-indeno[1,2-b]pyridinone
- IUPAC
- 7-nitroindeno[1,2-b]pyridin-5-one
Names & synonyms
7-nitro-5-indeno[1,2-b]pyridinone7-nitroindeno[1,2-b]pyridin-5-one7-Nitro-5H-indeno[1,2-b]pyridin-5-oneOprea1_77346979280-29-8MLS000767302SCHEMBL8343435CHEMBL1586439CHEBI:114647UHKGMCVBCVDFKM-UHFFFAOYSA-NDTXSID201319965HMS2784A22
Show more names
STL321277AKOS0221419147-Nitro-indeno[1,2-b]pyridin-5-oneSMR0004296335H-Indeno[1,2-b]pyridin-5-one, 7-nitro-7-Nitro-5H-indeno[1,2-b]pyridin-5-one #Q27196051
Database identifiers
- CAS
79280-29-8- PubChem CID
- 614657
- DTXSID
DTXSID201319965- ChEMBL
CHEMBL1586439- ChEBI
CHEBI:114647
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 352
Experimental & physicochemical properties
Solubility7.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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