2-fluoro-6-methylpyridin-3-amine

• ChemBase ID: 22235
• Molecular Formular: C6H7FN2
• Molecular Mass: 126.1315832
• Monoisotopic Mass: 126.05932645
• SMILES: c1c(nc(c(c1)N)F)C
• Canonical SMILES: Cc1ccc(c(n1)F)N
• InChI: InChI=1S/C6H7FN2/c1-4-2-3-5(8)6(7)9-4/h2-3H,8H2,1H3
• InChIKey: QTJMEDHISAJXDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 374633-34-8
• MDL Number: MFCD03095221
• PubChem SID: 160985542
• PubChem CID: 17750148

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.59464866
• LogD (pH = 7.4): 0.5946502
• Log P: 0.5946502
• Molar Refractivity: 34.4241 cm^3
• Polarizability: 12.033487 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 98%