Chemical identity

Niflumic Acid EP Impurity F/ Niflumic Acid Methyl Derivative

CAS 59361-45-4 · C14H11F3N2O2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-23401
PubChem CID527328
NameNiflumic Acid EP Impurity F/ Niflumic Acid Methyl Derivative
CAS RN59361-45-4
Molecular formulaC14H11F3N2O2
Molecular weight296.24 g/mol
IUPAC nameMethyl 2-[[3-(Trifluoromethyl)phenyl]amino]pyridine-3-carboxylate
InChIKeyGDDOBIMJBJFCTR-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 527328
Two-dimensional chemical structure of Niflumic Acid EP Impurity F/ Niflumic Acid Methyl Derivative, CAS 59361-45-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count2
Secondary amines1
Tertiary amines0
N-methyl amine sites0
SMILESO=C(C1=CC=CN=C1NC2=CC=CC(C(F)(F)F)=C2)OC
InChINot listed
Formula from structureC14H11F3N2O2
Molecular weight from structure296.24 g/mol

03Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site1 candidate
Chemical structure of Niflumic Acid EP Impurity F/ Niflumic Acid Methyl Derivative with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from Niflumic Acid EP Impurity F/ Niflumic Acid Methyl Derivative, with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C14H10F3N3O3
Candidate SMILES
COC(=O)c1cccnc1N(N=O)c1cccc(C(F)(F)F)c1

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 59361-45-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 59361-45-4 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Niflumic Acid

View API and impurity family

Other names

  • Niflumic acid methyl derivative
  • Methyl 2-[3-(trifluoromethyl)anilino]nicotinate
  • Methyl 2-((3-(trifluoromethyl)phenyl)amino)nicotinate

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources