5-fluoro-6-methylpyridin-2-amine

• ChemBase ID: 69031
• Molecular Formular: C6H7FN2
• Molecular Mass: 126.1315832
• Monoisotopic Mass: 126.05932645
• SMILES: c1(ccc(c(n1)C)F)N
• Canonical SMILES: Nc1ccc(c(n1)C)F
• InChI: InChI=1S/C6H7FN2/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)
• InChIKey: WMGRXNKQEVOVET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 110919-71-6
• MDL Number: MFCD09835298
• PubChem SID: 162034760
• PubChem CID: 13789841

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.66643506
• LogD (pH = 7.4): 0.7932874
• Log P: 0.79517704
• Molar Refractivity: 33.7229 cm^3
• Polarizability: 12.034559 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%