Basic information
- CAS
596815-61-1- Standard SMILES
Cc1ccnc(-c2cc(F)c(F)c(F)c2)c1- InChIKey
WUPSQVKQNQYVGN-UHFFFAOYSA-N- Molecular formula
- C12H8F3N
- Average molar mass
- 223.19 g/mol
- Monoisotopic mass
- 223.06088375
Names & identifiers
- Preferred name
- 4-Methyl-2-(3,4,5-trifluorophenyl)pyridine
- IUPAC
- 4-methyl-2-(3,4,5-trifluorophenyl)pyridine
Names & synonyms
4-Methyl-2-(3,4,5-trifluorophenyl)pyridine596815-61-1DTXSID60787062RefChem:294162DTXCID60737805Pyridine, 4-methyl-2-(3,4,5-trifluorophenyl)-
Database identifiers
- CAS
596815-61-1- PubChem CID
- 71363545
- DTXSID
DTXSID60787062- Nikkaji
- J2.717.380B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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