Metabolite 3-hydroxy-N-methyl-pyridinium
- Name
- 3-hydroxy-N-methyl-pyridinium
- Description
- Not Available
- Structure
Structure for 3-hydroxy-N-methyl-pyridinium
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 110.135
Monoisotopic: 110.060040302 - Chemical Formula
- C6H8NO
- InChI Key
- FZVAZYLFYPULKX-UHFFFAOYSA-O
- InChI
- InChI=1S/C6H7NO/c1-7-4-2-3-6(8)5-7/h2-5H,1H3/p+1
- IUPAC Name
- 3-hydroxy-1-methylpyridin-1-ium
- SMILES
- C[N+]1=CC=CC(O)=C1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 114.86194 predictedDeepCCS 1.0 (2019) [M+H]+ 118.70954 predictedDeepCCS 1.0 (2019) [M+Na]+ 127.67344 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 124520
- ZINC
- ZINC000001635609
- Predicted Properties
Property Value Source logP -3.5 Chemaxon pKa (Strongest Acidic) 4.9 Chemaxon pKa (Strongest Basic) -7.7 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 24.11 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 32.04 m3·mol-1 Chemaxon Polarizability 11.66 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon