Basic information
- CAS
1305324-88-2- Standard SMILES
CC(C)(C)C(=O)Nc1ncc(C(F)(F)F)cc1C(=O)O- InChIKey
JUHGLODVLUZCDX-UHFFFAOYSA-N- Molecular formula
- C12H13F3N2O3
- Average molar mass
- 290.24 g/mol
- Monoisotopic mass
- 290.08782677
Names & identifiers
- Preferred name
- 2-Pivalamido-5-(trifluoromethyl)nicotinic acid
- IUPAC
- 2-(2,2-dimethylpropanoylamino)-5-(trifluoromethyl)pyridine-3-carboxylic acid
- English name
- 2-Pivalamido-5-(trifluoromethyl)nicotinic acid
- Molecular formula
- C12H13F3N2O3
- Molecular weight
- 290.24
Names & synonyms
2-Pivalamido-5-(trifluoromethyl)nicotinic acid1305324-88-2MFCD204870172-(2,2-dimethylpropanoylamino)-5-(trifluoromethyl)pyridine-3-carboxylic acid2-Pivalamido-5-(trifluoromethyl)nicotinicacidCS-04442412-Pivalamido-5-(trifluoromethyl)nicotinic acid, AldrichCPR3-Pyridinecarboxylic acid, 2-[(2,2-dimethyl-1-oxopropyl)amino]-5-(trifluoromethyl)-
Database identifiers
- CAS
1305324-88-2- PubChem CID
- 71299093
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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