1-(5-Chloropyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
Basic information
- CAS
197228-36-7- Standard SMILES
O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cn1- InChIKey
VKVZBCIBFSYCQY-UHFFFAOYSA-N- Molecular formula
- C13H9ClF3N3O
- Average molar mass
- 315.68 g/mol
- Monoisotopic mass
- 315.0386241
Names & identifiers
- Preferred name
- 1-(5-Chloropyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
- IUPAC
- 1-(5-chloro-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
- English name
- 1-(5-chloro-pyridin-2-yl)-3-(3-trifluoromethyl-phenyl)-urea
- Molecular formula
- C13H9ClF3N3O
- Molecular weight
- 315.68
Names & synonyms
197228-36-71-(5-chloropyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]ureaUrea, N-(5-chloro-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]-1-(5-chloropyridin-2-yl)-3-(3-(trifluoromethyl)phenyl)ureaDTXSID10358140STL337988AKOS000545203ST070501AI-204/31694050N-(5-chloro-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]ureaN-(5-Chloropyridin-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea1-(5-CHLORO-2-PYRIDYL)-3-(3-(TRIFLUOROMETHYL)PHENYL)UREA
Show more names
1-(5-chloro-pyridin-2-yl)-3-(3-trifluoromethyl-phenyl)-urea
[(5-chloro(2-pyridyl))amino]-N-[3-(trifluoromethyl)phenyl]carboxamide
Database identifiers
- CAS
197228-36-7- PubChem CID
- 878436
- DTXSID
DTXSID10358140
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Boiling point
- 305.3 · 305.3±42.0 °C(Predicted)
- Density
- 1.513 · 1.513±0.06 g/cm3(Predicted)
- pka
- 12.14 · 12.14±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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