Chemical identity

2-chloro-6-(3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl)nicotinic acid

CAS 2229861-17-8 · C14H13ClF3N3O3

01Identity

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

Lazychem IDLC-13876
PubChem CID134587323
Name2-chloro-6-(3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl)nicotinic acid
CAS RN2229861-17-8
Molecular formulaC14H13ClF3N3O3
Molecular weight363.72 g/mol
IUPAC name2-chloro-6-(3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl)nicotinic acid
InChIKeyIHSUNZLVJQDZGP-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 134587323
Two-dimensional chemical structure of 2-chloro-6-(3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl)nicotinic acid, CAS 2229861-17-8
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 amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)(COC1=NN(C=C1)C2=NC(=C(C=C2)C(=O)O)Cl)C(F)(F)F
InChINot listed
Formula from structureC14H13ClF3N3O3
Molecular weight from structure363.72 g/mol

03India 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 2229861-17-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2229861-17-8 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.

04Names and relationships

Associated parent compound

Elexacaftor

View API and impurity family

Other names

  • Elexacaftor Impurity 2
  • 2-chloro-6-(3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl)nicotinic acid
  • 2229861-17-8
  • RefChem:469521
  • 842-325-8
  • 2-CHLORO-6-[3-(3,3,3-TRIFLUORO-2,2-DIMETHYLPROPOXY)-1H-PYRAZOL-1-YL]-3-PYRIDINECARBOXYLIC ACID
  • SCHEMBL20239782
  • SCHEMBL30771697
  • SCHEMBL30771700
  • SCHEMBL30771701
  • IHSUNZLVJQDZGP-UHFFFAOYSA-N
  • EX-A3640

Related records from the same parent family

No related records are linked by parent name.

05Documented 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.

06Sources