2-(5-chloro-2-ethoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyridine

• ChemBase ID: 360255
• Molecular Formular: C18H19ClN2O2
• Molecular Mass: 330.80866
• Monoisotopic Mass: 330.11350554
• SMILES: C(=O)(N1CCCC1)c1cc(c2c(ccc(c2)Cl)OCC)ncc1
• Canonical SMILES: CCOc1ccc(cc1c1nccc(c1)C(=O)N1CCCC1)Cl
• InChI: InChI=1S/C18H19ClN2O2/c1-2-23-17-6-5-14(19)12-15(17)16-11-13(7-8-20-16)18(22)21-9-3-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3
• InChIKey: SOUADEBXPVINTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-chloro-2-ethoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyridine
• IUPAC Traditional name: 2-(5-chloro-2-ethoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyridine
• Synonyms: 2-(5-chloro-2-ethoxyphenyl)-4-(pyrrolidin-1-ylcarbonyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2955067
• LogD (pH = 7.4): 3.295619
• Log P: 3.2956204
• Molar Refractivity: 91.0947 cm^3
• Polarizability: 36.067753 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.37
• LOG S: -3.64
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4