3-fluoro-5-methylpyridin-2-amine

• ChemBase ID: 801133
• Molecular Formular: C6H7FN2
• Molecular Mass: 126.1315832
• Monoisotopic Mass: 126.05932645
• SMILES: n1c(c(cc(c1)C)F)N
• Canonical SMILES: Cc1cnc(c(c1)F)N
• InChI: InChI=1S/C6H7FN2/c1-4-2-5(7)6(8)9-3-4/h2-3H,1H3,(H2,8,9)
• InChIKey: WKAWTMSJTPXTOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-5-methylpyridin-2-amine
• IUPAC Traditional name: 3-fluoro-5-methylpyridin-2-amine
• Synonyms: 2-AMINO-3-FLUORO-5-METHYLPYRIDINE

Database IDs

• CAS Number: 1211590-31-6

CALCULATED PROPERTIES

• Acid pKa: 19.500141
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0846442
• LogD (pH = 7.4): 1.1759208
• Log P: 1.1772283
• Molar Refractivity: 34.1726 cm^3
• Polarizability: 12.033244 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%