Butyl 5-fluoronicotinate
Basic information
- CAS
23723-23-1- Standard SMILES
CCCCOC(=O)c1cncc(F)c1- InChIKey
ZQNIMWGAXXYCBH-UHFFFAOYSA-N- Molecular formula
- C10H12FNO2
- Average molar mass
- 197.21 g/mol
- Monoisotopic mass
- 197.08520679
Names & identifiers
- Preferred name
- Butyl 5-fluoronicotinate
- IUPAC
- butyl 5-fluoropyridine-3-carboxylate
Names & synonyms
23723-23-1Butyl 5-fluoronicotinatebutyl 5-fluoropyridine-3-carboxylateButyl 5-fluoro-3-pyridinecarboxylateBRN 0474653Nicotinic acid, 5-fluoro-, butyl esterNicotinic acid, 5-fluoro-, butyl ester (8CI)3-Pyridinecarboxylic acid, 5-fluoro-, butyl esterDTXSID70178386
Database identifiers
- CAS
23723-23-1- PubChem CID
- 211890
- DTXSID
DTXSID70178386
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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