2-Hydroxy-4-methyl-6-(trifluoromethyl)nicotinonitrile
Basic information
- CAS
116548-08-4- Standard SMILES
Cc1cc(C(F)(F)F)[nH]c(=O)c1C#N- InChIKey
KJPCSAVVWNUZOG-UHFFFAOYSA-N- Molecular formula
- C8H5F3N2O
- Average molar mass
- 202.13 g/mol
- Monoisotopic mass
- 202.03539727
Names & identifiers
- Preferred name
- 2-Hydroxy-4-methyl-6-(trifluoromethyl)nicotinonitrile
- IUPAC
- 4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
- English name
- 2-Hydroxy-4-methyl-6-trifluoromethyl-nicotinnitrile
- Molecular formula
- C8H5F3N2O
- Molecular weight
- 202.13
Names & synonyms
116548-08-44-methyl-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile2-Hydroxy-4-methyl-6-(trifluoromethyl)nicotinonitrileMFCD049674064-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile2-HYDROXY-4-METHYL-6-TRIFLUOROMETHYL-NICOTINNITRILE2-hydroxy-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile3-Pyridinecarbonitrile, 1,2-dihydro-4-methyl-2-oxo-6-(trifluoromethyl)-TimTec1_003592SCHEMBL14966612DTXSID80350131HMS1544D06
Show more names
AKOS B016298VITAS-BB TBB008541ART-CHEM-BB B016298
SBB021407STK349322STK675264AKOS000306130AKOS002666401BS-19281ST052040CS-0082186
Database identifiers
- CAS
116548-08-4- PubChem CID
- 674145
- DTXSID
DTXSID80350131
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Melting point
- 211 · 211-212 °C
- Boiling point
- 270.9 · 270.9±40.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.97 · 4.97±0.10(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
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Compound notes
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