Basic information
- Standard SMILES
O=C(O)c1cc2ccn(Cc3ccc(Cl)s3)c2cn1- InChIKey
AXQZGIOYEUJUCB-UHFFFAOYSA-N- Molecular formula
- C13H9ClN2O2S
- Average molar mass
- 292.74 g/mol
Names & identifiers
- Preferred name
- 1-(5-Chloro-thiophen-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic Acid
- IUPAC
- 1-[(5-chlorothiophen-2-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid
Names & synonyms
1-(5-Chloro-thiophen-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic AcidSCHEMBL2945862AXQZGIOYEUJUCB-UHFFFAOYSA-N1-[(5-chloro-2-thienyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylic acid
Database identifiers
- PubChem CID
- 21892232
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 358
Related reactions
1 records
Compound notes
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