Sodium dipicolinateProduct ingredient for Dipicolinic acid
- Name
- Sodium dipicolinate
- Drug Entry
- Dipicolinic acid
- Accession Number
- DBSALT002939
- Structure
Structure for Sodium dipicolinate (DBSALT002939)
- Synonyms
- Not Available
- UNII
- Not Available
- CAS Number
- 4220-17-1
- Weight
- Average: 189.102
Monoisotopic: 189.00380189 - Chemical Formula
- C7H4NNaO4
- InChI Key
- FYWQWZBZNHKKSQ-UHFFFAOYSA-M
- InChI
- InChI=1S/C7H5NO4.Na/c9-6(10)4-2-1-3-5(8-4)7(11)12;/h1-3H,(H,9,10)(H,11,12);/q;+1/p-1
- IUPAC Name
- sodium 6-carboxypyridine-2-carboxylate
- SMILES
- [Na+].OC(=O)C1=CC=CC(=N1)C([O-])=O
- External Links
- ChemSpider
- 4954289
- ChEMBL
- CHEMBL177801
- Predicted Properties
Property Value Source Water Solubility 36.5 mg/mL ALOGPS logP 0.26 ALOGPS logP -0.44 Chemaxon logS -0.71 ALOGPS pKa (Strongest Acidic) 0.55 Chemaxon pKa (Strongest Basic) 7.02 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 90.32 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 48.51 m3·mol-1 Chemaxon Polarizability 14.11 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon