Nicotinic acid, 5-fluoro-, cyclohexyl ester
Basic information
- CAS
23723-26-4- Standard SMILES
O=C(OC1CCCCC1)c1cncc(F)c1- InChIKey
KCYOUPHUBLMKGO-UHFFFAOYSA-N- Molecular formula
- C12H14FNO2
- Average molar mass
- 223.24 g/mol
- Monoisotopic mass
- 223.10085685
Names & identifiers
- Preferred name
- Nicotinic acid, 5-fluoro-, cyclohexyl ester
- IUPAC
- cyclohexyl 5-fluoropyridine-3-carboxylate
Names & synonyms
Cyclohexyl 5-fluoronicotinateBRN 0477515Cyclohexyl 5-fluoro-3-pyridinecarboxylate23723-26-4Nicotinic acid, 5-fluoro-, cyclohexyl esterDTXSID90178388Nicotinic acid, 5-fluoro-, cyclohexyl ester (8CI)3-Pyridinecarboxylic acid, 5-fluoro-, cyclohexyl esterRefChem:365653DTXCID20100879cyclohexyl 5-fluoropyridine-3-carboxylate
Database identifiers
- CAS
23723-26-4- PubChem CID
- 211893
- DTXSID
DTXSID90178388
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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