4-methoxypyridazine

• ChemBase ID: 806467
• Molecular Formular: C5H6N2O
• Molecular Mass: 110.11394
• Monoisotopic Mass: 110.04801282
• SMILES: n1ncc(cc1)OC
• Canonical SMILES: COc1ccnnc1
• InChI: InChI=1S/C5H6N2O/c1-8-5-2-3-6-7-4-5/h2-4H,1H3
• InChIKey: NSGNREBTEFKPIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxypyridazine
• IUPAC Traditional name: pyridazine, 4-methoxy-
• Synonyms: 4-METHOXYPYRIDAZINE

Database IDs

• CAS Number: 20733-11-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.38712442
• LogD (pH = 7.4): -0.3819344
• Log P: -0.38186783
• Molar Refractivity: 30.2276 cm^3
• Polarizability: 11.075431 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%