(6-chloro-4-methoxypyridazin-3-yl)methanol

• ChemBase ID: 804263
• Molecular Formular: C6H7ClN2O2
• Molecular Mass: 174.58498
• Monoisotopic Mass: 174.01960515
• SMILES: C(O)c1nnc(cc1OC)Cl
• Canonical SMILES: COc1cc(Cl)nnc1CO
• InChI: InChI=1S/C6H7ClN2O2/c1-11-5-2-6(7)9-8-4(5)3-10/h2,10H,3H2,1H3
• InChIKey: FNWAACINLBIQHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-chloro-4-methoxypyridazin-3-yl)methanol
• IUPAC Traditional name: (6-chloro-4-methoxypyridazin-3-yl)methanol
• Synonyms: (6-CHLORO-4-METHOXYPYRIDAZIN-3-YL)METHANOL

Database IDs

• CAS Number: 679405-86-8

CALCULATED PROPERTIES

• Acid pKa: 13.660925
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.24352676
• LogD (pH = 7.4): -0.24352412
• Log P: -0.24352385
• Molar Refractivity: 42.3874 cm^3
• Polarizability: 15.597565 Å^3
• Polar Surface Area: 55.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%