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
2D structure: 2-chloro-6-(3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl)nicotinic acid, CAS 2229861-17-8
Structure of 2-chloro-6-(3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl)nicotinic acid (CAS 2229861-17-8). LazyChem record. Source identity: PubChem CID 134587323. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC14H13ClF3N3O3
InChIKeyIHSUNZLVJQDZGP-UHFFFAOYSA-N
Ring count2
Defined stereocentres0
Unassigned stereocentres0
SMILESCC(C)(COC1=NN(C=C1)C2=NC(=C(C=C2)C(=O)O)Cl)C(F)(F)F
InChIInChI=1S/C14H13ClF3N3O3/c1-13(2,14(16,17)18)7-24-10-5-6-21(20-10)9-4-3-8(12(22)23)11(15)19-9/h3-6H,7H2,1-2H3,(H,22,23)

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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 2229861-17-8 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 2229861-17-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

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]-3-PYRIDINECARBOXYLIC ACID
  • 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