Basic information
- Standard SMILES
O=C(O)CNC(=O)c1ncc2c(c(Cl)cn2Cc2ccccc2)c1O- InChIKey
KWYSPDDJVCLQCD-UHFFFAOYSA-N- Molecular formula
- C17H14ClN3O4
- Average molar mass
- 359.8 g/mol
Names & identifiers
- Preferred name
- [(1-Benzyl-3-chloro-4-hydroxy-1H-pyrrolo[2,3-c]pyridine-5-carbonyl)-amino]-acetic acid
- IUPAC
- 2-[(1-benzyl-3-chloro-4-hydroxypyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid
Names & synonyms
SCHEMBL2886992KWYSPDDJVCLQCD-UHFFFAOYSA-N[(1-Benzyl-3-chloro-4-hydroxy-1H-pyrrolo[2,3-c]pyridine-5-carbonyl)-amino]-acetic acid
Database identifiers
- PubChem CID
- 68428596
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 500
Related reactions
1 records
Compound notes
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