Methyl 2-methyl-5-(trifluoromethyl)nicotinate
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Basic information
- CAS
1824071-34-2- Standard SMILES
COC(=O)c1cc(C(F)(F)F)cnc1C- InChIKey
OBRJISAWXLEYFQ-UHFFFAOYSA-N- Molecular formula
- C9H8F3NO2
- Average molar mass
- 219.16 g/mol
- Monoisotopic mass
- 219.05071298
Names & identifiers
- Preferred name
- Methyl 2-methyl-5-(trifluoromethyl)nicotinate
- IUPAC
- methyl 2-methyl-5-(trifluoromethyl)pyridine-3-carboxylate
- English name
- 3-Pyridinecarboxylic acid, 2-methyl-5-(trifluoromethyl)-, methyl ester
- Molecular formula
- C9H8F3NO2
- Molecular weight
- 219.16
Names & synonyms
1824071-34-2Methyl 2-methyl-5-(trifluoromethyl)nicotinatemethyl 2-methyl-5-(trifluoromethyl)pyridine-3-carboxylateMFCD17392673starbld0041187SCHEMBL24391507OBRJISAWXLEYFQ-UHFFFAOYSA-NAT24313F8454322-Methyl-5-trifluoromethyl-nicotinic acid methyl ester3-Pyridinecarboxylic acid, 2-methyl-5-(trifluoromethyl)-, methyl ester
Database identifiers
- CAS
1824071-34-2- PubChem CID
- 151297340
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Boiling point
- 221.1 · 221.1±40.0 °C(Predicted)
- Density
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- pka
- 1.49 · 1.49±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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