Basic information
- Standard SMILES
In1ccc2c1N=C(c1ccccc1)CN2- InChIKey
NKIMVVSTOJOKEF-UHFFFAOYSA-N- Molecular formula
- C12H10IN3
- Average molar mass
- 323.13 g/mol
Names & identifiers
- Preferred name
- 5-iodo-3-phenyl-1H-pyrrolo[2,3-b]pyrazine
- IUPAC
- 5-iodo-3-phenyl-1,2-dihydropyrrolo[2,3-b]pyrazine
Names & synonyms
SCHEMBL3375424NKIMVVSTOJOKEF-UHFFFAOYSA-N5-iodo-3-phenyl-1H-pyrrolo[2,3-b]pyrazine
Database identifiers
- PubChem CID
- 68618367
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 286
Related reactions
5 records
Compound notes
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