3-Pyridinecarboxylic acid, (5-fluoro-3-pyridinyl)methyl ester
Basic information
- CAS
23723-31-1- Standard SMILES
O=C(OCc1cncc(F)c1)c1cccnc1- InChIKey
WOFJTSLEYUNNQE-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-pyridinyl)methyl ester
- IUPAC
- (5-fluoro-3-pyridinyl)methyl pyridine-3-carboxylate
Names & synonyms
BRN 048037623723-31-13-Pyridinecarboxylic acid, (5-fluoro-3-pyridinyl)methyl ester(5-Fluoro-3-pyridinyl)methyl 3-pyridinecarboxylateDTXSID40178393RefChem:282174DTXCID70100884(5-fluoropyridin-3-yl)methyl pyridine-3-carboxylate
Database identifiers
- CAS
23723-31-1- PubChem CID
- 211898
- DTXSID
DTXSID40178393
Properties
Computed structural properties
- XLogP
- 1.4
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…