Basic information
- Standard SMILES
O=C(c1cccc([N+](=O)[O-])c1F)c1c[nH]c2ncc(Br)cc12- InChIKey
SAQNCYKCFGJMDJ-UHFFFAOYSA-N- Molecular formula
- C14H7BrFN3O3
- Average molar mass
- 364.13 g/mol
Names & identifiers
- Preferred name
- (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-3-nitro-phenyl)-methanone
- IUPAC
- (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-3-nitrophenyl)methanone
Names & synonyms
SCHEMBL2165161SAQNCYKCFGJMDJ-UHFFFAOYSA-NDS-018638(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-3-nitro-phenyl)-methanone1312942-00-9
Database identifiers
- PubChem CID
- 58368909
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 461
Related reactions
2 records
Compound notes
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