Metabolite M4 BAL8728
- Name
- M4 BAL8728
- Description
- Not Available
- Structure
Structure for M4 BAL8728
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 152.153
Monoisotopic: 152.058577506 - Chemical Formula
- C7H8N2O2
- InChI Key
- SMYTUBMIBZOXTH-UHFFFAOYSA-N
- InChI
- InChI=1S/C7H8N2O2/c1-8-6-5(7(10)11)3-2-4-9-6/h2-4H,1H3,(H,8,9)(H,10,11)
- IUPAC Name
- 2-(methylamino)pyridine-3-carboxylic acid
- SMILES
- CNC1=C(C=CC=N1)C(O)=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 3925738
- ZINC
- ZINC000004228119
- Predicted Properties
Property Value Source logP -0.59 Chemaxon pKa (Strongest Acidic) 1.32 Chemaxon pKa (Strongest Basic) 6.77 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 62.22 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 41.66 m3·mol-1 Chemaxon Polarizability 14.79 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