4-(6-fluoropyridin-2-yl)-N-methylpyridin-2-amine

• ChemBase ID: 796565
• Molecular Formular: C11H10FN3
• Molecular Mass: 203.2156032
• Monoisotopic Mass: 203.08587556
• SMILES: n1c(cccc1F)c1cc(ncc1)NC
• Canonical SMILES: CNc1nccc(c1)c1cccc(n1)F
• InChI: InChI=1S/C11H10FN3/c1-13-11-7-8(5-6-14-11)9-3-2-4-10(12)15-9/h2-7H,1H3,(H,13,14)
• InChIKey: LGDFLLCASRIRSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(6-fluoropyridin-2-yl)-N-methylpyridin-2-amine
• IUPAC Traditional name: 4-(6-fluoropyridin-2-yl)-N-methylpyridin-2-amine
• Synonyms: 6-Fluoro-N-Methyl-[2,4'-bipyridin]-2'-aMine

Database IDs

• CAS Number: 1245649-68-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8074868
• LogD (pH = 7.4): 2.1673052
• Log P: 2.174845
• Molar Refractivity: 58.2468 cm^3
• Polarizability: 22.110458 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%