[5-(3-fluorophenyl)pyridin-3-yl]methanamine

• ChemBase ID: 797221
• Molecular Formular: C12H11FN2
• Molecular Mass: 202.2275432
• Monoisotopic Mass: 202.09062658
• SMILES: C(N)c1cncc(c1)c1cc(ccc1)F
• Canonical SMILES: NCc1cncc(c1)c1cccc(c1)F
• InChI: InChI=1S/C12H11FN2/c13-12-3-1-2-10(5-12)11-4-9(6-14)7-15-8-11/h1-5,7-8H,6,14H2
• InChIKey: BZQLESLKUZPRNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(3-fluorophenyl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [5-(3-fluorophenyl)pyridin-3-yl]methanamine
• Synonyms: (5-(3-Fluorophenyl)pyridin-3-yl)MethanaMine

Database IDs

• CAS Number: 1356110-47-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2627053
• LogD (pH = 7.4): -0.036487028
• Log P: 1.6712692
• Molar Refractivity: 57.7271 cm^3
• Polarizability: 23.41213 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%