Basic information
- CAS
88328-40-9- Standard SMILES
O=[N+]([O-])c1ccc2ncccc2c1-n1cccc1- InChIKey
WELLSXCNVOSIOG-UHFFFAOYSA-N- Molecular formula
- C13H9N3O2
- Average molar mass
- 239.23 g/mol
- Monoisotopic mass
- 239.06947654
Names & identifiers
- Preferred name
- Quinoline, 6-nitro-5-(1H-pyrrol-1-yl)-
- IUPAC
- 6-nitro-5-pyrrol-1-ylquinoline
Names & synonyms
6-nitro-5-pyrrol-1-ylquinolineQuinoline, 6-nitro-5-(1H-pyrrol-1-yl)-88328-40-9Maybridge1_001600Oprea1_739708HMS546A16DTXSID30384168CCG-478256-nitro-5-(1H-pyrrol-1-yl)quinolineSR-01000637418-1
Database identifiers
- CAS
88328-40-9- PubChem CID
- 2800546
- DTXSID
DTXSID30384168
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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