Basic information
- Standard SMILES
CCOC(=O)c1[nH]c2c(Cl)cncc2c1Nc1ccc(I)cc1F- InChIKey
JCVMODNXJAFJTN-UHFFFAOYSA-N- Molecular formula
- C16H12ClFIN3O2
- Average molar mass
- 459.64 g/mol
Names & identifiers
- Preferred name
- 7-Chloro-3-(2-fluoro-4-iodo-phenylamino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid ethyl ester
- IUPAC
- ethyl 7-chloro-3-(2-fluoro-4-iodoanilino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
Names & synonyms
SCHEMBL1921544JCVMODNXJAFJTN-UHFFFAOYSA-N7-Chloro-3-(2-fluoro-4-iodo-phenylamino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 59596602
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 461
Related reactions
2 records
Compound notes
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