Basic information
- CAS
2102726-71-4- Standard SMILES
CC(=NC#N)N(C)Cc1ccc(Cl)nc1.O=C(N=c1ccccn1Cc1ccc(Cl)nc1)C(F)(F)F- InChIKey
YOWYXSVPJRWNTD-UHFFFAOYSA-N- Molecular formula
- C23H20Cl2F3N7O
- Average molar mass
- 538.3 g/mol
- Monoisotopic mass
- 537.1058482
Names & identifiers
- Preferred name
- N-{1-[(6-Chloro-3-pyridinyl)methyl]-2(1H)-pyridinylidene}-2,2,2-trifluoroacetamide mixt. with (1E)-N-[(6-Chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide
- IUPAC
- N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide;N-[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]-2,2,2-trifluoroacetamide
Names & synonyms
DTXSID6010151492102726-71-4N-{1-[(6-Chloro-3-pyridinyl)methyl]-2(1H)-pyridinylidene}-2,2,2-trifluoroacetamide mixt. with (1E)-N-[(6-Chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamideN-{1-[(6-Chloropyridin-3-yl)methyl]pyridin-2(1H)-ylidene}-2,2,2-trifluoroacetamide--(1E)-N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide (1/1)
Database identifiers
- CAS
2102726-71-4- PubChem CID
- 154734412
- DTXSID
DTXSID601015149
Properties
Computed structural properties
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 768
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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