2-(3-fluoropyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazine

• ChemBase ID: 768468
• Molecular Formular: C13H13FN4
• Molecular Mass: 244.2675232
• Monoisotopic Mass: 244.11242466
• SMILES: c1(c(c2c(F)cncc2)nccn1)N1CCCC1
• Canonical SMILES: Fc1cnccc1c1nccnc1N1CCCC1
• InChI: InChI=1S/C13H13FN4/c14-11-9-15-4-3-10(11)12-13(17-6-5-16-12)18-7-1-2-8-18/h3-6,9H,1-2,7-8H2
• InChIKey: OYIIDGQECRCUHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluoropyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazine
• IUPAC Traditional name: 2-(3-fluoropyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazine
• Synonyms: 2-(3-fluoropyridin-4-yl)-3-pyrrolidin-1-ylpyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6041374
• LogD (pH = 7.4): 1.6043029
• Log P: 1.604305
• Molar Refractivity: 66.851 cm^3
• Polarizability: 26.021507 Å^3
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.14
• LOG S: -2.81
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 2