Basic information
- CAS
133229-96-6- Standard SMILES
CNc1nc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c2[N+](=O)[O-])c(Cl)cc1C(F)(F)F- InChIKey
JYRXIDDMOJYCNX-UHFFFAOYSA-N- Molecular formula
- C14H7Cl2F6N5O4
- Average molar mass
- 494.1 g/mol
- Monoisotopic mass
- 492.9779281
Names & identifiers
- Preferred name
- 3-chloro-2-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-N-methyl-5-(trifluoromethyl)pyridine-2,6-diamine
- IUPAC
- 3-chloro-2-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-N-methyl-5-(trifluoromethyl)pyridine-2,6-diamine
Names & synonyms
133229-96-63-Chloro-2-N-(3-chloro-2,6-dinitro-4-?(trifluoromethyl)phenyl)-6-N-methyl-5-?(trifluoromethyl)pyridine-2,6-diamine3-chloro-2-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-6-N-methyl-5-(trifluoromethyl)pyridine-2,6-diamineCHEMBL2268639SCHEMBL12936040DTXSID90158009JYRXIDDMOJYCNX-UHFFFAOYSA-N3-Chloro-N~2~-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-N~6~-methyl-5-(trifluoromethyl)pyridine-2,6-diamine
Database identifiers
- CAS
133229-96-6- PubChem CID
- 183121
- DTXSID
DTXSID90158009- ChEMBL
CHEMBL2268639- Nikkaji
- J397.147C
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 676
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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