Basic information
- CAS
1026456-28-9- Standard SMILES
Brc1ccc(-c2cnc3[nH]ccc3n2)cc1- InChIKey
CZFFHGHDCZJWBH-UHFFFAOYSA-N- Molecular formula
- C12H8BrN3
- Average molar mass
- 274.12 g/mol
- Monoisotopic mass
- 272.99016
Names & identifiers
- Preferred name
- 2-(4-bromophenyl)-5H-pyrrolo[2,3-b]pyrazine
- IUPAC
- 2-(4-bromophenyl)-5H-pyrrolo[2,3-b]pyrazine
Names & synonyms
2-(4-bromophenyl)-5H-pyrrolo[2,3-b]pyrazineSCHEMBL1779395DTXSID2012608331026456-28-9
Database identifiers
- CAS
1026456-28-9- PubChem CID
- 9856783
- DTXSID
DTXSID201260833
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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