Basic information
- CAS
35597-82-1- Standard SMILES
CS(=O)(=O)c1nc(Cl)c(Cl)c(C#N)c1Cl- InChIKey
NWTXKBMAZQDKMI-UHFFFAOYSA-N- Molecular formula
- C7H3Cl3N2O2S
- Average molar mass
- 285.5 g/mol
- Monoisotopic mass
- 283.898082
Names & identifiers
- Preferred name
- 4-Pyridinecarbonitrile, 2,3,5-trichloro-6-(methylsulfonyl)-
- IUPAC
- 2,3,5-trichloro-6-methylsulfonylpyridine-4-carbonitrile
Names & synonyms
35597-82-14-Pyridinecarbonitrile, 2,3,5-trichloro-6-(methylsulfonyl)-NSC144872NSC-1448722,3,5-Trichloro-6-(methylsulfonyl)-4-pyridinecarbonitrile2,3,5-Trichloro-6-(methylsulfonyl)isonicotinonitrileNSC 144872BPY9FEH23MCHEMBL1974011SCHEMBL11882984DTXSID80189064NCI60_000972
Show more names
Isonicotinonitrile,3,5-trichloro-6-(methylsulfonyl)-2,3,5-Trichloro-6-(methanesulfonyl)pyridine-4-carbonitrile2,3,5-trichloro-6-methylsulfonyl-pyridine-4-carbonitrile4-Pyridinecarbonitrile,3,5-trichloro-6-(methylsulfonyl)-
Database identifiers
- CAS
35597-82-1- PubChem CID
- 97694
- DTXSID
DTXSID80189064- ChEMBL
CHEMBL1974011- UNII
- BPY9FEH23M
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…