3-(2,4,6-Trifluorophenyl)pyridine-4-carboxylic acid
Basic information
- CAS
1261950-16-6- Standard SMILES
O=C(O)c1ccncc1-c1c(F)cc(F)cc1F- InChIKey
XKMAGBVSSAOVLY-UHFFFAOYSA-N- Molecular formula
- C12H6F3NO2
- Average molar mass
- 253.18 g/mol
- Monoisotopic mass
- 253.03506292
Names & identifiers
- Preferred name
- 3-(2,4,6-Trifluorophenyl)pyridine-4-carboxylic acid
- IUPAC
- 3-(2,4,6-trifluorophenyl)pyridine-4-carboxylic acid
Names & synonyms
1261950-16-63-(2,4,6-trifluorophenyl)pyridine-4-carboxylic acid3-(2,4,6-TRIFLUOROPHENYL)ISONICOTINIC ACIDDTXSID30687727MFCD18317734AKOS0151576013-(2,4,6-Trifluorophenyl)Isonicotinic acid, 95%
Database identifiers
- CAS
1261950-16-6- PubChem CID
- 53223602
- DTXSID
DTXSID30687727
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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