Basic information
- Standard SMILES
CCOC(=O)c1cnc(Cl)cc1Nc1ccc(I)cc1F- InChIKey
DHNNQFFUJSLMRN-UHFFFAOYSA-N- Molecular formula
- C14H11ClFIN2O2
- Average molar mass
- 420.6 g/mol
Names & identifiers
- Preferred name
- Ethyl 6-chloro-4-(2-fluoro-4-iodoanilino)nicotinate
- IUPAC
- ethyl 6-chloro-4-(2-fluoro-4-iodoanilino)pyridine-3-carboxylate
Names & synonyms
SCHEMBL5622895DHNNQFFUJSLMRN-UHFFFAOYSA-NDB-129889ethyl 6-chloro-4-(2-fluoro-4-iodoanilino)nicotinateethyl 4-(2-fluoro-4-iodophenylamino)-6-chloropyridine-3-carboxylate6-Chloro-4-(2-fluoro-4-iodo-phenylamino)-nicotinic acid ethyl ester
Database identifiers
- PubChem CID
- 23631002
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 364
Related reactions
7 records
Compound notes
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