5-(2,3-difluorophenyl)pyridin-2-amine

• ChemBase ID: 290404
• Molecular Formular: C11H8F2N2
• Molecular Mass: 206.1914264
• Monoisotopic Mass: 206.06555471
• SMILES: Nc1ncc(c2cccc(F)c2F)cc1
• Canonical SMILES: Nc1ccc(cn1)c1cccc(c1F)F
• InChI: InChI=1S/C11H8F2N2/c12-9-3-1-2-8(11(9)13)7-4-5-10(14)15-6-7/h1-6H,(H2,14,15)
• InChIKey: QTKRDJPBLRYOQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,3-difluorophenyl)pyridin-2-amine
• IUPAC Traditional name: 5-(2,3-difluorophenyl)pyridin-2-amine
• Synonyms: 5-(2,3-Difluorophenyl)pyridin-2-amine; 5-(2,3-difluorophenyl)-2-pyridinamine

Database IDs

• CAS Number: 875166-91-9
• MDL Number: MFCD11505297
• PubChem SID: 180675935
• PubChem CID: 29893131

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7714325
• LogD (pH = 7.4): 2.430528
• Log P: 2.4537342
• Molar Refractivity: 54.484 cm^3
• Polarizability: 20.824799 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%