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Details

Stereochemistry ACHIRAL
Molecular Formula C12H8FNO2
Molecular Weight 217.1958
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EMD-50929

SMILES

OC(=O)C1=CC(=CN=C1)C2=CC=C(F)C=C2

InChI

InChIKey=KISDAKHYANOMTN-UHFFFAOYSA-N
InChI=1S/C12H8FNO2/c13-11-3-1-8(2-4-11)9-5-10(12(15)16)7-14-6-9/h1-7H,(H,15,16)

HIDE SMILES / InChI

Molecular Formula C12H8FNO2
Molecular Weight 217.1958
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:18:27 GMT 2023
Edited
by admin
on Sat Dec 16 15:18:27 GMT 2023
Record UNII
T2R9CAT3ER
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EMD-50929
Code English
EMD 50929
Code English
SARIZOTAN METABOLITE M217
Common Name English
5-(4-FLUOROPHENYL)-3-PYRIDINECARBOXYLIC ACID
Systematic Name English
3-PYRIDINECARBOXYLIC ACID, 5-(4-FLUOROPHENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
T2R9CAT3ER
Created by admin on Sat Dec 16 15:18:27 GMT 2023 , Edited by admin on Sat Dec 16 15:18:27 GMT 2023
PRIMARY
CAS
364064-17-5
Created by admin on Sat Dec 16 15:18:27 GMT 2023 , Edited by admin on Sat Dec 16 15:18:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID90464036
Created by admin on Sat Dec 16 15:18:27 GMT 2023 , Edited by admin on Sat Dec 16 15:18:27 GMT 2023
PRIMARY
PUBCHEM
11378949
Created by admin on Sat Dec 16 15:18:27 GMT 2023 , Edited by admin on Sat Dec 16 15:18:27 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE