6-fluoro-2-methylpyridin-3-amine

• ChemBase ID: 22256
• Molecular Formular: C6H7FN2
• Molecular Mass: 126.1315832
• Monoisotopic Mass: 126.05932645
• SMILES: c1(c(nc(cc1)F)C)N
• Canonical SMILES: Fc1ccc(c(n1)C)N
• InChI: InChI=1S/C6H7FN2/c1-4-5(8)2-3-6(7)9-4/h2-3H,8H2,1H3
• InChIKey: XXWLHILHNANUFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-2-methylpyridin-3-amine
• IUPAC Traditional name: 6-fluoro-2-methylpyridin-3-amine
• Synonyms: 3-Amino-6-fluoro-2-picoline; 3-Amino-6-fluoro-2-methylpyridine; 5-Amino-2-fluoro-6-methylpyridine

Database IDs

• CAS Number: 28489-47-6
• MDL Number: MFCD03094949
• PubChem SID: 160985563
• PubChem CID: 24729240

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5946464
• LogD (pH = 7.4): 0.59465015
• Log P: 0.5946502
• Molar Refractivity: 34.4241 cm^3
• Polarizability: 12.03323 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Toxic
• TSCA Listed: false

Product Information

• Purity: 98%