Basic information
- Standard SMILES
Nc1ncc(-c2ccc3[nH]c(C(=O)O)cc3c2)cc1OCc1c(Cl)cccc1Cl- InChIKey
YAAAHPOEWDXLHC-UHFFFAOYSA-N- Molecular formula
- C21H15Cl2N3O3
- Average molar mass
- 428.3 g/mol
Names & identifiers
- Preferred name
- 5-{6-amino-5-[(2,6-dichlorobenzyl)oxy]pyridin-3-yl}-1H-indole-2-carboxylic acid
- IUPAC
- 5-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]-1H-indole-2-carboxylic acid
Names & synonyms
SCHEMBL488203SCHEMBL30452997YAAAHPOEWDXLHC-UHFFFAOYSA-N5-{6-amino-5-[(2,6-dichlorobenzyl)oxy]pyridin-3-yl}-1H-indole-2-carboxylic acid
Database identifiers
- PubChem CID
- 10071222
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 573
Related reactions
2 records
Compound notes
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