3-Pyridinecarboxylic acid, 5-fluoro-, 3-pyridinylmethyl ester
Basic information
- CAS
23723-29-7- Standard SMILES
O=C(OCc1cccnc1)c1cncc(F)c1- InChIKey
JUOAVMLVMVXXFF-UHFFFAOYSA-N- Molecular formula
- C12H9FN2O2
- Average molar mass
- 232.21 g/mol
- Monoisotopic mass
- 232.0648057
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 5-fluoro-, 3-pyridinylmethyl ester
- IUPAC
- pyridin-3-ylmethyl 5-fluoropyridine-3-carboxylate
Names & synonyms
23723-29-73-Pyridinecarboxylic acid, 5-fluoro-, 3-pyridinylmethyl esterBRN 04814033-Pyridinemethanol, 5-fluoronicotinate3-Pyridinylmethyl 5-fluoro-3-pyridinecarboxylate5-FLUORONICOTINIC ACID PYRIDIN-3-YLMETHYL ESTERDTXSID20178391(Pyridin-3-yl)methyl 5-fluoropyridine-3-carboxylate
Database identifiers
- CAS
23723-29-7- PubChem CID
- 211896
- DTXSID
DTXSID20178391
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
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Compound notes
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