3-bromo-1-cyclopentyl-4-methoxy-4,5-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carboxylic acid
Basic information
- Standard SMILES
COC1NC=C(C(=O)O)c2c1c(Br)cn2C1CCCC1- InChIKey
VLHBZZCEPSFWNW-UHFFFAOYSA-N- Molecular formula
- C14H17BrN2O3
- Average molar mass
- 341.2 g/mol
Names & identifiers
- Preferred name
- 3-bromo-1-cyclopentyl-4-methoxy-4,5-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carboxylic acid
- IUPAC
- 3-bromo-1-cyclopentyl-4-methoxy-4,5-dihydropyrrolo[3,2-c]pyridine-7-carboxylic acid
Names & synonyms
SCHEMBL16611210VLHBZZCEPSFWNW-UHFFFAOYSA-N3-bromo-1-cyclopentyl-4-methoxy-4,5-dihydro-1H-pyrrolo[3,2-c]pyridine-7-carboxylic acid
Database identifiers
- PubChem CID
- 117988041
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 63.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 423
Related reactions
2 records
Compound notes
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