2-fluoro-4-methylpyridin-3-amine

• ChemBase ID: 100623
• Molecular Formular: C6H7FN2
• Molecular Mass: 126.1315832
• Monoisotopic Mass: 126.05932645
• SMILES: n1c(c(c(cc1)C)N)F
• Canonical SMILES: Cc1ccnc(c1N)F
• InChI: InChI=1S/C6H7FN2/c1-4-2-3-9-6(7)5(4)8/h2-3H,8H2,1H3
• InChIKey: ZKQQKPXTKXTEQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-4-methylpyridin-3-amine
• IUPAC Traditional name: 2-fluoro-4-methylpyridin-3-amine
• Synonyms: 3-Amino-2-fluoro-4-methylpyridine; 3-Amino-2-fluoro-4-picoline

Database IDs

• CAS Number: 173435-32-0
• MDL Number: MFCD04112556
• PubChem SID: 162087416
• PubChem CID: 2763161

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.97669894
• LogD (pH = 7.4): 0.9767014
• Log P: 0.97670144
• Molar Refractivity: 34.8738 cm^3
• Polarizability: 12.032598 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic

Product Information

• Purity: 95+%