[5-(5-fluoropyridin-2-yl)pyridin-3-yl]methanamine

• ChemBase ID: 796571
• Molecular Formular: C11H10FN3
• Molecular Mass: 203.2156032
• Monoisotopic Mass: 203.08587556
• SMILES: C(N)c1cc(c2ncc(cc2)F)cnc1
• Canonical SMILES: NCc1cncc(c1)c1ccc(cn1)F
• InChI: InChI=1S/C11H10FN3/c12-10-1-2-11(15-7-10)9-3-8(4-13)5-14-6-9/h1-3,5-7H,4,13H2
• InChIKey: VYOPGOBDPDHBIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(5-fluoropyridin-2-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [5-(5-fluoropyridin-2-yl)pyridin-3-yl]methanamine
• Synonyms: (5-Fluoro-[2,3'-bipyridin]-5'-yl)MethanaMine

Database IDs

• CAS Number: 1346686-93-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0828528
• LogD (pH = 7.4): -0.8192264
• Log P: 0.839447
• Molar Refractivity: 55.1982 cm^3
• Polarizability: 22.497581 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%