[5-(3,5-difluorophenyl)pyridin-3-yl]methanamine

• ChemBase ID: 796297
• Molecular Formular: C12H10F2N2
• Molecular Mass: 220.2180064
• Monoisotopic Mass: 220.08120477
• SMILES: C(N)c1cncc(c1)c1cc(cc(c1)F)F
• Canonical SMILES: NCc1cncc(c1)c1cc(F)cc(c1)F
• InChI: InChI=1S/C12H10F2N2/c13-11-2-9(3-12(14)4-11)10-1-8(5-15)6-16-7-10/h1-4,6-7H,5,15H2
• InChIKey: RDVUNKYPBPTXEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(3,5-difluorophenyl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [5-(3,5-difluorophenyl)pyridin-3-yl]methanamine
• Synonyms: (5-(3,5-Difluorophenyl)pyridin-3-yl)MethanaMine

Database IDs

• CAS Number: 1346691-80-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1188245
• LogD (pH = 7.4): 0.111383304
• Log P: 1.813971
• Molar Refractivity: 57.9435 cm^3
• Polarizability: 23.040813 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%