2,3,6-trimethoxypyridine

• ChemBase ID: 65638
• Molecular Formular: C8H11NO3
• Molecular Mass: 169.17784
• Monoisotopic Mass: 169.07389322
• SMILES: c1c(nc(c(c1)OC)OC)OC
• Canonical SMILES: COc1ccc(c(n1)OC)OC
• InChI: InChI=1S/C8H11NO3/c1-10-6-4-5-7(11-2)9-8(6)12-3/h4-5H,1-3H3
• InChIKey: FIDKPTFJOFOUTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,6-trimethoxypyridine
• IUPAC Traditional name: 2,3,6-trimethoxypyridine
• Synonyms: 2,3,6-Trimethoxypyridine

Database IDs

• MDL Number: MFCD21609475
• PubChem SID: 162031377
• PubChem CID: 71299130

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4714504
• LogD (pH = 7.4): 1.4714743
• Log P: 1.4714746
• Molar Refractivity: 43.9177 cm^3
• Polarizability: 17.025688 Å^3
• Polar Surface Area: 40.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%