Basic information
- CAS
78879-38-6- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c(C(F)(F)F)c1- InChIKey
YQVJEGSYKJISIL-UHFFFAOYSA-N- Molecular formula
- C13H5ClF6N4O4
- Average molar mass
- 430.64 g/mol
- Monoisotopic mass
- 429.9903513
Names & identifiers
- Preferred name
- 3-chloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
- IUPAC
- 3-chloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
Names & synonyms
DTXSID508773653-chloro-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine78879-38-63-achloro-aN-a[2,a4-adinitro-a6-a(trifluoromethyl)aphenyl]a-a5-a(trifluoromethyl)a-2-aPyridinamine
Database identifiers
- CAS
78879-38-6- PubChem CID
- 12901608
- DTXSID
DTXSID50877365- Nikkaji
- J1.587.615H
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 596
Experimental & physicochemical properties
LogP3.52
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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