5-fluoro-6-methylpyridin-3-amine

• ChemBase ID: 801929
• Molecular Formular: C6H7FN2
• Molecular Mass: 126.1315832
• Monoisotopic Mass: 126.05932645
• SMILES: n1cc(cc(c1C)F)N
• Canonical SMILES: Nc1cnc(c(c1)F)C
• InChI: InChI=1S/C6H7FN2/c1-4-6(7)2-5(8)3-9-4/h2-3H,8H2,1H3
• InChIKey: KJZLQXAWTJBZNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-6-methylpyridin-3-amine
• IUPAC Traditional name: 5-fluoro-6-methylpyridin-3-amine
• Synonyms: 3-PYRIDINAMINE, 5-FLUORO-6-METHYL-

Database IDs

• CAS Number: 1211542-12-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.18854159
• LogD (pH = 7.4): 0.20056392
• Log P: 0.20071954
• Molar Refractivity: 33.4094 cm^3
• Polarizability: 12.033941 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%