6-[3-(3,4-Difluoro-phenyl)-5-formyl-isoxazol-4-ylmethoxy]-nicotinic acid methyl ester
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Basic information
- Standard SMILES
COC(=O)c1ccc(OCc2c(-c3ccc(F)c(F)c3)noc2C=O)nc1- InChIKey
OVESNFYGCXBGJT-UHFFFAOYSA-N- Molecular formula
- C18H12F2N2O5
- Average molar mass
- 374.3 g/mol
Names & identifiers
- Preferred name
- 6-[3-(3,4-Difluoro-phenyl)-5-formyl-isoxazol-4-ylmethoxy]-nicotinic acid methyl ester
- IUPAC
- methyl 6-[[3-(3,4-difluorophenyl)-5-formyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylate
Names & synonyms
SCHEMBL535920OVESNFYGCXBGJT-UHFFFAOYSA-N6-[3-(3,4-Difluoro-phenyl)-5-formyl-isoxazol-4-ylmethoxy]-nicotinic acid methyl ester
Database identifiers
- PubChem CID
- 86646256
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 526
Related reactions
4 records
Compound notes
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