3-Mercaptopicolinic acid
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Basic information
- CAS
14623-54-2- Standard SMILES
O=C(O)c1ncccc1S- InChIKey
ZYFDNIOIEFZULT-UHFFFAOYSA-N- Molecular formula
- C6H5NO2S
- Average molar mass
- 155.18 g/mol
- Monoisotopic mass
- 155.0040994
Overview
gluconeogenesis inhibitor; may also inhibit ATP-dependentphosphoenolpyruvate carboxykinase
Names & identifiers
- Preferred name
- 3-Mercaptopicolinic acid
- IUPAC
- 3-sulfanylpyridine-2-carboxylic acid
- English name
- 3-MERCAPTOPICOLINIC ACID HYDROCHLORIDE
- Molecular formula
- C6H5NO2S
- Molecular weight
- 155.17
Names & synonyms
3-Mercaptopicolinic acid14623-54-2Skf 342883-Mercapto-2-pyridinecarboxylic acid2-Pyridinecarboxylic acid, 3-mercapto-DTXSID901633307XW1R5R974RefChem:911463DTXCID5085821604-518-33-sulfanylpyridine-2-carboxylic acid3-Mercaptopicolinic acid HCl
Show more names
3-MercaptopicolinicacidHCl3-MERCAPTOPICOLINIC ACID HYDROCHLORIDE3-Mercapto-2-pyridinecarboxylic acid Hydrochloride
3-Mercaptopicolinate3-Mercaptopyridine-2-carboxylic acidSK&F 34288UNII-7XW1R5R974ZYFDNIOIEFZULT-UHFFFAOYSA-N1WDSKF-342883-Mercaptopicolinicacid
Database identifiers
- CAS
14623-54-2- PubChem CID
- 119070
- DTXSID
DTXSID90163330- ChEMBL
CHEMBL3247165- UNII
- 7XW1R5R974
- EC Number
- 604-518-3
- Nikkaji
- J442.710F
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 200 °C · 200°C dec.
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- Ethanol, Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- Off-White to Yellow
- Stability
- Hygroscopic
- FDA UNII
- 7 XW1R5R974 · 7XW1R5R974
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Applications
UsesA potent inhibitor of gluconeogenesis
Related reactions
1 records
Compound notes
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