4-Bromo-7-fluoro-N-methyl-5-nitroisoquinolin-1-amine
Basic information
- CAS
1368342-36-2- Standard SMILES
CNc1ncc(Br)c2c([N+](=O)[O-])cc(F)cc12- InChIKey
SXQFXJPFTZNVME-UHFFFAOYSA-N- Molecular formula
- C10H7BrFN3O2
- Average molar mass
- 300.08 g/mol
- Monoisotopic mass
- 298.97057
Names & identifiers
- Preferred name
- 4-Bromo-7-fluoro-N-methyl-5-nitroisoquinolin-1-amine
- IUPAC
- 4-bromo-7-fluoro-N-methyl-5-nitroisoquinolin-1-amine
Names & synonyms
DTXSID4012102724-Bromo-7-fluoro-N-methyl-5-nitroisoquinolin-1-amine1-Isoquinolinamine, 4-bromo-7-fluoro-N-methyl-5-nitro-1368342-36-2
Database identifiers
- CAS
1368342-36-2- PubChem CID
- 97698288
- DTXSID
DTXSID401210272
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
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Compound notes
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