Basic information
- CAS
783-95-9- Standard SMILES
Cc1nc(Cl)c(C#N)c(C(F)(F)F)c1[N+](=O)[O-]- InChIKey
FNSVJEGHKFDQGK-UHFFFAOYSA-N- Molecular formula
- C8H3ClF3N3O2
- Average molar mass
- 265.57 g/mol
- Monoisotopic mass
- 264.9865885
Names & identifiers
- Preferred name
- 2-Chloro-6-methyl-5-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile
- IUPAC
- 2-chloro-6-methyl-5-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile
Names & synonyms
783-95-92-chloro-6-methyl-5-nitro-4-(trifluoromethyl)pyridine-3-carbonitrile2-chloro-6-methyl-5-nitro-4-(trifluoromethyl)nicotinonitrileNicotinonitrile, 2-chloro-6-methyl-5-nitro-4-(trifluoromethyl)-MFCD00114346NSC61975DTXSID90289569NSC-61975SBB102946AKOS025212330AKOS025396839
Database identifiers
- CAS
783-95-9- PubChem CID
- 247447
- DTXSID
DTXSID90289569
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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