5-[[(4-Fluorophenyl)thio](2,3,6-trifluorophenyl)methyl]-4-methylpyridine-2-carboxylic Acid
Basic information
- Standard SMILES
Cc1cc(C(=O)O)ncc1C(Sc1ccc(F)cc1)c1c(F)ccc(F)c1F- InChIKey
BCNTZLPJOICVIK-UHFFFAOYSA-N- Molecular formula
- C20H13F4NO2S
- Average molar mass
- 407.4 g/mol
- Monoisotopic mass
- 407.06031248
Names & identifiers
- Preferred name
- 5-[[(4-Fluorophenyl)thio](2,3,6-trifluorophenyl)methyl]-4-methylpyridine-2-carboxylic Acid
- IUPAC
- 5-[(4-fluorophenyl)sulfanyl-(2,3,6-trifluorophenyl)methyl]-4-methylpyridine-2-carboxylic acid
Names & synonyms
SCHEMBL595980BCNTZLPJOICVIK-UHFFFAOYSA-N5-[[(4-Fluorophenyl)thio](2,3,6-trifluorophenyl)methyl]-4-methylpyridine-2-carboxylic Acid5-[[(4-fluorophenyl)thio](2,3,6-trifluorophenyl)methyl]-4-m ethylpyridine-2-carboxylic acid
Database identifiers
- PubChem CID
- 57736472
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 534
Related reactions
5 records
Compound notes
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