Basic information
- CAS
1146293-16-4- Standard SMILES
N#Cc1cnc2ccc(Br)cc2c1N- InChIKey
NSESHVQEXDATLI-UHFFFAOYSA-N- Molecular formula
- C10H6BrN3
- Average molar mass
- 248.08 g/mol
- Monoisotopic mass
- 246.97451
Names & identifiers
- Preferred name
- 3-Quinolinecarbonitrile, 4-amino-6-bromo-
- IUPAC
- 4-amino-6-bromoquinoline-3-carbonitrile
Names & synonyms
3-Quinolinecarbonitrile, 4-amino-6-bromo-1146293-16-4DTXSID101271265AKOS0051421424-amino-6-bromoquinoline-3-carbonitrile
Database identifiers
- CAS
1146293-16-4- PubChem CID
- 39733270
- DTXSID
DTXSID101271265
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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