N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
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Basic information
- CAS
54231-51-5- Standard SMILES
O=C(Nc1cccc(C(F)(F)F)c1)c1ccncc1- InChIKey
FSBKMDDXMCRZCL-UHFFFAOYSA-N- Molecular formula
- C13H9F3N2O
- Average molar mass
- 266.22 g/mol
- Monoisotopic mass
- 266.0666974
Names & identifiers
- Preferred name
- N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
- IUPAC
- N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
- English name
- N-[3-(TRIFLUOROMETHYL)PHENYL]ISONICOTINAMIDE
- Molecular formula
- C13H9F3N2O
- Molecular weight
- 266.22
Names & synonyms
N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide54231-51-5N-[3-(trifluoromethyl)phenyl]isonicotinamideMFCD00432555N-(3-(trifluoromethyl)phenyl)isonicotinamideSCHEMBL3486022SCHEMBL5553204AKOS0029393435G-381SN-[3-(Trifluoromethyl)phenyl]-4-pyridinecarboxamide4-Pyridinecarboxamide, N-[3-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
54231-51-5- PubChem CID
- 694776
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Boiling point
- 271.8 · 271.8±40.0 °C(Predicted)
- Density
- 1.364 · 1.364±0.06 g/cm3(Predicted)
- pka
- 11.3 · 11.30±0.70(Predicted)
Related reactions
4 records
Compound notes
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