Basic information
- Standard SMILES
COC(=O)c1cc(Oc2ccc(F)cc2F)ncc1N- InChIKey
YZYYCPPLDPBHCU-UHFFFAOYSA-N- Molecular formula
- C13H10F2N2O3
- Average molar mass
- 280.23 g/mol
- Monoisotopic mass
- 280.06594851
Names & identifiers
- Preferred name
- 5-Amino-2-(2,4-difluoro-phenoxy)-isonicotinic acid methyl ester
- IUPAC
- methyl 5-amino-2-(2,4-difluorophenoxy)pyridine-4-carboxylate
Names & synonyms
SCHEMBL5258681YZYYCPPLDPBHCU-UHFFFAOYSA-N5-Amino-2-(2,4-difluoro-phenoxy)-isonicotinic acid methyl ester
Database identifiers
- PubChem CID
- 58820193
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Related reactions
3 records
Compound notes
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