Allyl 5-fluoronicotinate
Basic information
- CAS
23723-22-0- Standard SMILES
C=CCOC(=O)c1cncc(F)c1- InChIKey
NPXGQTITDQSREJ-UHFFFAOYSA-N- Molecular formula
- C9H8FNO2
- Average molar mass
- 181.16 g/mol
- Monoisotopic mass
- 181.05390666
Names & identifiers
- Preferred name
- Allyl 5-fluoronicotinate
- IUPAC
- prop-2-enyl 5-fluoropyridine-3-carboxylate
Names & synonyms
23723-22-0Allyl 5-fluoronicotinateBRN 04747862-Propenyl 5-fluoro-3-pyridinecarboxylateNicotinic acid, 5-fluoro-, allyl esterNicotinic acid, 5-fluoro-, allyl ester (8CI)3-Pyridinecarboxylic acid, 5-fluoro-, 2-propenyl esterDTXSID10178385prop-2-en-1-yl 5-fluoropyridine-3-carboxylate
Database identifiers
- CAS
23723-22-0- PubChem CID
- 211889
- DTXSID
DTXSID10178385
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 196
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…