2,5-Dimethylisonicotinonitrile
Basic information
- CAS
7584-10-3- Standard SMILES
Cc1cc(C#N)c(C)cn1- InChIKey
GCSJARUDMJJPLI-UHFFFAOYSA-N- Molecular formula
- C8H8N2
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.06874826
Names & identifiers
- Preferred name
- 2,5-Dimethylisonicotinonitrile
- IUPAC
- 2,5-dimethylpyridine-4-carbonitrile
- English name
- 2,5-diMethylisonicotinonitrile
- Molecular formula
- C8H8N2
- Molecular weight
- 132.16
Names & synonyms
2,5-Dimethylisonicotinonitrile7584-10-32,5-dimethylpyridine-4-carbonitrileSCHEMBL2751008DTXSID80592594DB-337942E73955Ethionamide Impurity 94-Pyridinecarbonitrile, 2,5-dimethyl-
Database identifiers
- CAS
7584-10-3- PubChem CID
- 18177680
- DTXSID
DTXSID80592594
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Symbol(GHS)
- 6 · GHS06,GHS07
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P310+P330-P305+P351+P338-P337+P313-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS07
- Hazard statements
- H301-H319
- Precautionary statements
- P264-P270-P280-P301+P310+P330-P305+P351+P338-P337+P313-P405-P501
Chemistry & industry
Applications
Uses2,5-Dimethylisonicotinonitrile is an Ethionamide (E890420) impurity, which is an antibacterial (tuberculostatic).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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