5-(5-methyl-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)pyridine-2-carboxylic acid
Basic information
- Standard SMILES
CC1CCc2c(cc(-c3ccccc3)n2-c2ccc(C(=O)O)nc2)C1- InChIKey
OYBHSGHIWFTENL-UHFFFAOYSA-N- Molecular formula
- C21H20N2O2
- Average molar mass
- 332.4 g/mol
Names & identifiers
- Preferred name
- 5-(5-methyl-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)pyridine-2-carboxylic acid
- IUPAC
- 5-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)pyridine-2-carboxylic acid
Names & synonyms
SCHEMBL3325933OYBHSGHIWFTENL-UHFFFAOYSA-N5-(5-methyl-2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)pyridine-2-carboxylic acid
Database identifiers
- PubChem CID
- 59320720
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 477
Related reactions
1 records
Compound notes
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