3-fluoro-N-methylpyridin-2-amine

• ChemBase ID: 241091
• Molecular Formular: C6H7FN2
• Molecular Mass: 126.1315832
• Monoisotopic Mass: 126.05932645
• SMILES: c1(ncccc1F)NC
• Canonical SMILES: CNc1ncccc1F
• InChI: InChI=1S/C6H7FN2/c1-8-6-5(7)3-2-4-9-6/h2-4H,1H3,(H,8,9)
• InChIKey: AMVFJTOQPSFLIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-N-methylpyridin-2-amine
• IUPAC Traditional name: 3-fluoro-N-methylpyridin-2-amine
• Synonyms: 3-fluoro-N-methylpyridin-2-amine

Database IDs

• MDL Number: MFCD16859379
• PubChem SID: 164297001
• PubChem CID: 10678237

CALCULATED PROPERTIES

• Acid pKa: 18.743832
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9375941
• LogD (pH = 7.4): 0.9651473
• Log P: 0.96551096
• Molar Refractivity: 34.6248 cm^3
• Polarizability: 12.10543 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.39

Product Information

• Purity: 95%