Basic information
- Standard SMILES
CN1CCCC1c1cncc(-c2ccc(F)cc2)c1.O=C(O)/C=C/C(=O)O- InChIKey
IXNJMAXFHJDMNK-WLHGVMLRSA-N- Molecular formula
- C20H21FN2O4
- Average molar mass
- 372.4 g/mol
Names & identifiers
- Preferred name
- 5-(4-Fluorophenyl)-3-(1-methyl-2-pyrrolidinyl)pyridine fumarate
- IUPAC
- (E)-but-2-enedioic acid;3-(4-fluorophenyl)-5-(1-methylpyrrolidin-2-yl)pyridine
Names & synonyms
SCHEMBL6972206IXNJMAXFHJDMNK-WLHGVMLRSA-N5-(4-fluorophenyl)-3-(1-methyl-2-pyrrolidinyl) pyridine fumarate5-(4-fluorophenyl)-3-(1-methyl-2-pyrrolidinyl)pyridine fumarate
Database identifiers
- PubChem CID
- 19694304
Properties
Computed structural properties
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 407
Related reactions
5 records
Linked notes
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