2-(2-fluoro-6-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyridine

• ChemBase ID: 334478
• Molecular Formular: C17H17FN2O2
• Molecular Mass: 300.3274832
• Monoisotopic Mass: 300.12740601
• SMILES: c1(c2c(F)cccc2OC)cc(C(=O)N2CCCC2)ccn1
• Canonical SMILES: COc1cccc(c1c1nccc(c1)C(=O)N1CCCC1)F
• InChI: InChI=1S/C17H17FN2O2/c1-22-15-6-4-5-13(18)16(15)14-11-12(7-8-19-14)17(21)20-9-2-3-10-20/h4-8,11H,2-3,9-10H2,1H3
• InChIKey: RWPMCTMNMGYHEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluoro-6-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyridine
• IUPAC Traditional name: 2-(2-fluoro-6-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyridine
• Synonyms: 2-(2-fluoro-6-methoxyphenyl)-4-(pyrrolidin-1-ylcarbonyl)pyridine

CALCULATED PROPERTIES

JChem

• H Donor: 0
• LogD (pH = 5.5): 2.4774537
• LogD (pH = 7.4): 2.4774694
• Log P: 2.4774697
• Molar Refractivity: 81.7577 cm^3
• Polarizability: 32.026184 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3

供应商提供(Chembridge)

• H Donor: 0
• Log P: 1.74
• LOG S: -2.88
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 3
• H Acceptors: 3