Basic information
- Standard SMILES
CCOC(=O)c1cc2ccn(Cc3cccc(Cl)c3F)c2cn1- InChIKey
XVXOVMSDTJDYEZ-UHFFFAOYSA-N- Molecular formula
- C17H14ClFN2O2
- Average molar mass
- 332.8 g/mol
- Monoisotopic mass
- 332.0727835
Names & identifiers
- Preferred name
- Ethyl 1-(3-chloro-2-fluorobenzyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate
- IUPAC
- ethyl 1-[(3-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate
Names & synonyms
SCHEMBL2947108XVXOVMSDTJDYEZ-UHFFFAOYSA-NEthyl 1-(3-chloro-2-fluorobenzyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylateethyl 1-(3-chloro-2-fluoro-benzyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate
Database identifiers
- PubChem CID
- 21892239
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 425
Related reactions
2 records
Compound notes
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