6-chloro-4-methoxypyridazin-3-amine

• ChemBase ID: 238315
• Molecular Formular: C5H6ClN3O
• Molecular Mass: 159.57364
• Monoisotopic Mass: 159.01993951
• SMILES: n1c(c(cc(n1)Cl)OC)N
• Canonical SMILES: COc1cc(Cl)nnc1N
• InChI: InChI=1S/C5H6ClN3O/c1-10-3-2-4(6)8-9-5(3)7/h2H,1H3,(H2,7,9)
• InChIKey: KCKFEBMJVVTSKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20702054
• PubChem SID: 164294225
• PubChem CID: 58694558

CALCULATED PROPERTIES

• Acid pKa: 17.561268
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.20723966
• LogD (pH = 7.4): 0.20787746
• Log P: 0.20788561
• Molar Refractivity: 41.1076 cm^3
• Polarizability: 14.254372 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.091

Product Information

• Purity: 95%