4-oxo-2-[3-(trifluoromethyl)anilino]-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
Basic information
- CAS
324070-10-2- Standard SMILES
O=Cc1c(Nc2cccc(C(F)(F)F)c2)nc2ccccn2c1=O- InChIKey
KKTRDLDCCQNKIF-UHFFFAOYSA-N- Molecular formula
- C16H10F3N3O2
- Average molar mass
- 333.26 g/mol
- Monoisotopic mass
- 333.07251106
Names & identifiers
- Preferred name
- 4-oxo-2-[3-(trifluoromethyl)anilino]-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
- IUPAC
- 4-oxo-2-[3-(trifluoromethyl)anilino]pyrido[1,2-a]pyrimidine-3-carbaldehyde
Names & synonyms
324070-10-24-oxo-2-[3-(trifluoromethyl)anilino]-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde4-oxo-2-((3-(trifluoromethyl)phenyl)amino)-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde4-oxo-2-{[3-(trifluoromethyl)phenyl]amino}-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde4-oxo-2-[3-(trifluoromethyl)anilino]pyrido[1,2-a]pyrimidine-3-carbaldehydeMLS001163865CHEMBL1459763DTXSID901326599HMS2857H05STK821603AKOS000532496SMR000539252
Show more names
AB00099286-01AG-690/12767144
Database identifiers
- CAS
324070-10-2- PubChem CID
- 794775
- DTXSID
DTXSID901326599- ChEMBL
CHEMBL1459763
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 677
Experimental & physicochemical properties
Solubility1.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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