[5-(2-Formyl-4-trifluoromethyl-phenyl)-pyridin-3-yl]-acetic acid methyl ester
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Basic information
- Standard SMILES
COC(=O)Cc1cncc(-c2ccc(C(F)(F)F)cc2C=O)c1- InChIKey
IOEHGLGEQMZWCT-UHFFFAOYSA-N- Molecular formula
- C16H12F3NO3
- Average molar mass
- 323.27 g/mol
- Monoisotopic mass
- 323.07692773
Names & identifiers
- Preferred name
- [5-(2-Formyl-4-trifluoromethyl-phenyl)-pyridin-3-yl]-acetic acid methyl ester
- IUPAC
- methyl 2-[5-[2-formyl-4-(trifluoromethyl)phenyl]-3-pyridinyl]acetate
Names & synonyms
[5-(2-formyl-4-trifluoromethyl-phenyl)-pyridin-3-yl]-acetic acid methyl esterSCHEMBL1921721[5-(2-Formyl-4-trifluoromethyl-phenyl)-pyridin-3-yl]acetic acid methyl ester
Database identifiers
- PubChem CID
- 86640539
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 427
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Related reactions
4 records
Compound notes
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