6-fluoro-5-methylpyridin-3-amine

• ChemBase ID: 67332
• Molecular Formular: C6H7FN2
• Molecular Mass: 126.1315832
• Monoisotopic Mass: 126.05932645
• SMILES: c1(c(cc(cn1)N)C)F
• Canonical SMILES: Nc1cnc(c(c1)C)F
• InChI: InChI=1S/C6H7FN2/c1-4-2-5(8)3-9-6(4)7/h2-3H,8H2,1H3
• InChIKey: KADQKKYTJHXBSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 186593-48-6
• MDL Number: MFCD03095088
• PubChem SID: 162033068
• PubChem CID: 21952691

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9766993
• LogD (pH = 7.4): 0.9767014
• Log P: 0.97670144
• Molar Refractivity: 34.8738 cm^3
• Polarizability: 12.034394 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+%; 97%