2-(3-fluoropyridin-4-yl)-5-(1H-imidazol-1-ylmethyl)pyridine

• ChemBase ID: 844274
• Molecular Formular: C14H11FN4
• Molecular Mass: 254.2623432
• Monoisotopic Mass: 254.09677459
• SMILES: n1cn(cc1)Cc1cnc(c2c(F)cncc2)cc1
• Canonical SMILES: Fc1cnccc1c1ccc(cn1)Cn1ccnc1
• InChI: InChI=1S/C14H11FN4/c15-13-8-16-4-3-12(13)14-2-1-11(7-18-14)9-19-6-5-17-10-19/h1-8,10H,9H2
• InChIKey: JNZSVRJCHRIXMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluoropyridin-4-yl)-5-(1H-imidazol-1-ylmethyl)pyridine
• IUPAC Traditional name: 2-(3-fluoropyridin-4-yl)-5-(imidazol-1-ylmethyl)pyridine
• Synonyms: 3'-fluoro-5-(1H-imidazol-1-ylmethyl)-2,4'-bipyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0115515
• LogD (pH = 7.4): 1.4797982
• Log P: 1.5433577
• Molar Refractivity: 69.1889 cm^3
• Polarizability: 27.301779 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.98
• LOG S: -1.89
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3