Basic information
- CAS
5613-55-8- Standard SMILES
Nc1c(Cl)c(Cl)nc(C(=O)OCC(=O)NC2CCCC2)c1Cl- InChIKey
PYYMNEFUSHLPIL-UHFFFAOYSA-N- Molecular formula
- C13H14Cl3N3O3
- Average molar mass
- 366.6 g/mol
- Monoisotopic mass
- 365.010074
Names & identifiers
- Preferred name
- [2-(Cyclopentylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
- IUPAC
- [2-(cyclopentylamino)-2-oxoethyl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
Names & synonyms
5613-55-8AC1NREQBDTXSID204124242-(Cyclopentylamino)-2-oxoethyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
Database identifiers
- CAS
5613-55-8- PubChem CID
- 5239385
- DTXSID
DTXSID20412424
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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