Basic information
- Standard SMILES
O=c1ccc2ncc(F)c3c2n1CC3(O)CO- InChIKey
BXJYLIMJPZGRAG-UHFFFAOYSA-N- Molecular formula
- C11H9FN2O3
- Average molar mass
- 236.2 g/mol
Names & identifiers
- Preferred name
- (4R/S)-3-fluoro-4-hydroxy-4-(hydroxymethyl)-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one
- IUPAC
- 5-fluoro-3-hydroxy-3-(hydroxymethyl)-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
Names & synonyms
SCHEMBL2766721BXJYLIMJPZGRAG-UHFFFAOYSA-N(4R/S)-3-fluoro-4-hydroxy-4-(hydroxymethyl)-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one
Database identifiers
- PubChem CID
- 23634273
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 389
Related reactions
1 records
Compound notes
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