3-chloro-5-(cyclopentylmethoxy)pyridazine

• ChemBase ID: 797073
• Molecular Formular: C10H13ClN2O
• Molecular Mass: 212.67602
• Monoisotopic Mass: 212.07164073
• SMILES: n1nc(cc(c1)OCC1CCCC1)Cl
• Canonical SMILES: Clc1nncc(c1)OCC1CCCC1
• InChI: InChI=1S/C10H13ClN2O/c11-10-5-9(6-12-13-10)14-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2
• InChIKey: MSLYPOPMRFAXAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-5-(cyclopentylmethoxy)pyridazine
• IUPAC Traditional name: 3-chloro-5-(cyclopentylmethoxy)pyridazine
• Synonyms: 3-Chloro-5-(cyclopentylMethoxy)pyridazine

Database IDs

• CAS Number: 1346691-30-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1120582
• LogD (pH = 7.4): 2.1120684
• Log P: 2.1120687
• Molar Refractivity: 57.2377 cm^3
• Polarizability: 21.51759 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%