Basic information
- CAS
1349644-43-4- Standard SMILES
Fc1cncc(C2=CC3NCC3CC2)c1- InChIKey
OYOPQKALJRXEOD-UHFFFAOYSA-N- Molecular formula
- C12H13FN2
- Average molar mass
- 204.24 g/mol
- Monoisotopic mass
- 204.10627659
Names & identifiers
- Preferred name
- 4-(5-Fluoropyridin-3-yl)-7-azabicyclo[4.2.0]oct-4-ene
- IUPAC
- 4-(5-fluoro-3-pyridinyl)-7-azabicyclo[4.2.0]oct-4-ene
Names & synonyms
SCHEMBL5937788DTXSID5012061154-(5-fluoropyridin-3-yl)-7-azabicyclo[4.2.0]oct-4-ene7-Azabicyclo[4.2.0]oct-4-ene, 4-(5-fluoro-3-pyridinyl)-1349644-43-4
Database identifiers
- CAS
1349644-43-4- PubChem CID
- 21892414
- DTXSID
DTXSID501206115
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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