Basic information
- CAS
76928-29-5- Standard SMILES
O=C(Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccnc1- InChIKey
DBKLIGHGFZVBFK-UHFFFAOYSA-N- Molecular formula
- C22H23NO2
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.17287898
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 4-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl ester
- IUPAC
- [4-(1-adamantyl)phenyl] pyridine-3-carboxylate
Names & synonyms
p-(1-Adamantyl)phenyl nicotinate76928-29-53-Pyridinecarboxylic acid, 4-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl esterDTXSID802277134-Tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl 3-pyridinecarboxylateRefChem:282282DTXCID301502044-TRICYCLO(3.3.1.1(SUP 3,7))DEC-1-YLPHENYL NICOTINATEOprea1_500226AKOS0159972824-(ADAMANTAN-1-YL)PHENYL PYRIDINE-3-CARBOXYLATE
Database identifiers
- CAS
76928-29-5- PubChem CID
- 64501
- DTXSID
DTXSID80227713
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…