Basic information
- Standard SMILES
O=C(O)c1cc2ncccc2n1Cc1cc(-c2ccc(Cl)s2)on1- InChIKey
ASPGNCDILNOTCI-UHFFFAOYSA-N- Molecular formula
- C16H10ClN3O3S
- Average molar mass
- 359.8 g/mol
Names & identifiers
- Preferred name
- 1h-Pyrrolo[3,2-b]pyridine-2-carboxylic acid,1-[[5-(5-chloro-2-thienyl)-3-isoxazolyl]methyl]-
- IUPAC
- 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid
Names & synonyms
1h-pyrrolo[3,2-b]pyridine-2-carboxylic acid,1-[[5-(5-chloro-2-thienyl)-3-isoxazolyl]methyl]-797060-51-6SCHEMBL4879977ASPGNCDILNOTCI-UHFFFAOYSA-N1-[5-(5-chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
Database identifiers
- PubChem CID
- 69226992
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 485
Related reactions
2 records
Compound notes
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