3-Pyridinecarboxylic acid, 1,4-dihydro-1-(4-fluorophenyl)-4-oxo-6-(2-(3-pyridinyl)ethenyl)-
Basic information
- CAS
92365-49-6- Standard SMILES
O=C(O)c1cn(-c2ccc(F)cc2)c(/C=C/c2cccnc2)cc1=O- InChIKey
MBIKAEYGSYDDAA-ZZXKWVIFSA-N- Molecular formula
- C19H13FN2O3
- Average molar mass
- 336.3 g/mol
- Monoisotopic mass
- 336.09102044
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 1,4-dihydro-1-(4-fluorophenyl)-4-oxo-6-(2-(3-pyridinyl)ethenyl)-
- IUPAC
- 1-(4-fluorophenyl)-4-oxo-6-[(E)-2-pyridin-3-ylethenyl]pyridine-3-carboxylic acid
Names & synonyms
3-Pyridinecarboxylic acid, 1,4-dihydro-1-(4-fluorophenyl)-4-oxo-6-(2-(3-pyridinyl)ethenyl)-92365-49-6RefChem:10686661,4-Dihydro-1-(4-fluorophenyl)-4-oxo-6-(2-(3-pyridinyl)ethenyl)-3-pyridinecarboxylic acidSCHEMBL10758084
Database identifiers
- CAS
92365-49-6- PubChem CID
- 6366198
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 618
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