Basic information
- Standard SMILES
COC(=O)c1cc(Cl)cnc1N1CCCC1c1ccccc1- InChIKey
PRMUNGBSOQVRSW-UHFFFAOYSA-N- Molecular formula
- C17H17ClN2O2
- Average molar mass
- 316.8 g/mol
Names & identifiers
- Preferred name
- Methyl 5-chloro-2-(2-phenylpyrrolidin-1-yl)nicotinate
- IUPAC
- methyl 5-chloro-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxylate
Names & synonyms
1380753-26-3methyl 5-chloro-2-(2-phenylpyrrolidin-1-yl)nicotinateSCHEMBL9900583PRMUNGBSOQVRSW-UHFFFAOYSA-N5-chloro-2-(2-phenyl-1-pyrrolidinyl)-3-Pyridinecarboxylic acid methyl esterDB-358810
Database identifiers
- PubChem CID
- 67958237
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
Related reactions
2 records
Compound notes
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