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Details

Stereochemistry RACEMIC
Molecular Formula C10H13NO4
Molecular Weight 211.2145
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(3,4-DIHYDROXYBUTYL)-2-PYRIDINECARBOXYLIC ACID

SMILES

OCC(O)CCC1=CN=C(C=C1)C(O)=O

InChI

InChIKey=UVVYRQPKVBATGU-UHFFFAOYSA-N
InChI=1S/C10H13NO4/c12-6-8(13)3-1-7-2-4-9(10(14)15)11-5-7/h2,4-5,8,12-13H,1,3,6H2,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C10H13NO4
Molecular Weight 211.2145
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:50:46 GMT 2025
Edited
by admin
on Mon Mar 31 21:50:46 GMT 2025
Record UNII
4GB4DJY968
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Pyridinecarboxylic acid, 5-(3,4-dihydroxybutyl)-
Preferred Name English
5-(3,4-DIHYDROXYBUTYL)-2-PYRIDINECARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
CAS
98985-54-7
Created by admin on Mon Mar 31 21:50:46 GMT 2025 , Edited by admin on Mon Mar 31 21:50:46 GMT 2025
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PUBCHEM
127204
Created by admin on Mon Mar 31 21:50:46 GMT 2025 , Edited by admin on Mon Mar 31 21:50:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID00912957
Created by admin on Mon Mar 31 21:50:46 GMT 2025 , Edited by admin on Mon Mar 31 21:50:46 GMT 2025
PRIMARY
FDA UNII
4GB4DJY968
Created by admin on Mon Mar 31 21:50:46 GMT 2025 , Edited by admin on Mon Mar 31 21:50:46 GMT 2025
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