4-(3-fluorophenyl)pyridin-3-amine

• ChemBase ID: 236383
• Molecular Formular: C11H9FN2
• Molecular Mass: 188.2009632
• Monoisotopic Mass: 188.07497652
• SMILES: c1(c2c(N)cncc2)cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)c1ccncc1N
• InChI: InChI=1S/C11H9FN2/c12-9-3-1-2-8(6-9)10-4-5-14-7-11(10)13/h1-7H,13H2
• InChIKey: CHINMZLIUFUWAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-fluorophenyl)pyridin-3-amine
• IUPAC Traditional name: 4-(3-fluorophenyl)pyridin-3-amine
• Synonyms: 4-(3-fluorophenyl)pyridin-3-amine

Database IDs

• MDL Number: MFCD22196576
• PubChem SID: 164292293
• PubChem CID: 71695412

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4394339
• LogD (pH = 7.4): 1.7111734
• Log P: 1.7165748
• Molar Refractivity: 53.9541 cm^3
• Polarizability: 21.170238 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 66 - 68°C
• Hydrophobicity(logP): 2.374

Product Information

• Purity: 95%