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Details

Stereochemistry ACHIRAL
Molecular Formula C12H8FIN2O2
Molecular Weight 358.107
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((2-FLUORO-4-IODOPHENYL)AMINO)ISONICOTINIC ACID

SMILES

OC(=O)C1=C(NC2=C(F)C=C(I)C=C2)C=NC=C1

InChI

InChIKey=LKJJUICFLVYDJQ-UHFFFAOYSA-N
InChI=1S/C12H8FIN2O2/c13-9-5-7(14)1-2-10(9)16-11-6-15-4-3-8(11)12(17)18/h1-6,16H,(H,17,18)

HIDE SMILES / InChI

Molecular Formula C12H8FIN2O2
Molecular Weight 358.107
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 08:06:32 GMT 2023
Edited
by admin
on Sat Dec 16 08:06:32 GMT 2023
Record UNII
5EQ329N80I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((2-FLUORO-4-IODOPHENYL)AMINO)ISONICOTINIC ACID
Systematic Name English
3-((2-FLUORO-4-IODOPHENYL)AMINO)PYRIDINE-4-CARBOXYLIC ACID
Systematic Name English
4-PYRIDINECARBOXYLIC ACID, 3-((2-FLUORO-4-IODOPHENYL)AMINO)-
Systematic Name English
PIMASERTIB METABOLITE M358
Common Name English
Code System Code Type Description
CAS
885588-03-4
Created by admin on Sat Dec 16 08:06:33 GMT 2023 , Edited by admin on Sat Dec 16 08:06:33 GMT 2023
PRIMARY
FDA UNII
5EQ329N80I
Created by admin on Sat Dec 16 08:06:33 GMT 2023 , Edited by admin on Sat Dec 16 08:06:33 GMT 2023
PRIMARY
PUBCHEM
59026791
Created by admin on Sat Dec 16 08:06:33 GMT 2023 , Edited by admin on Sat Dec 16 08:06:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID40730874
Created by admin on Sat Dec 16 08:06:33 GMT 2023 , Edited by admin on Sat Dec 16 08:06:33 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
METABOLITE -> PARENT