6-chloro-3-methoxypyridazin-4-amine

• ChemBase ID: 290345
• Molecular Formular: C5H6ClN3O
• Molecular Mass: 159.57364
• Monoisotopic Mass: 159.01993951
• SMILES: Nc1cc(Cl)nnc1OC
• Canonical SMILES: COc1nnc(cc1N)Cl
• InChI: InChI=1S/C5H6ClN3O/c1-10-5-3(7)2-4(6)8-9-5/h2H,1H3,(H2,7,8)
• InChIKey: NDPRYUWUIMNDNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-methoxypyridazin-4-amine
• IUPAC Traditional name: 6-chloro-3-methoxypyridazin-4-amine
• Synonyms: 6-Chloro-3-methoxypyridazin-4-amine

Database IDs

• CAS Number: 14369-14-3
• PubChem SID: 180675876
• PubChem CID: 11008207

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.20754999
• LogD (pH = 7.4): 0.20788138
• Log P: 0.20788561
• Molar Refractivity: 41.1076 cm^3
• Polarizability: 14.259304 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%