5-fluoro-4-methylpyridin-2-amine

• ChemBase ID: 22421
• Molecular Formular: C6H7FN2
• Molecular Mass: 126.1315832
• Monoisotopic Mass: 126.05932645
• SMILES: c1(cc(c(cn1)F)C)N
• Canonical SMILES: Nc1ncc(c(c1)C)F
• InChI: InChI=1S/C6H7FN2/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3,(H2,8,9)
• InChIKey: RKMOPXJNMQWPLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-4-methylpyridin-2-amine
• IUPAC Traditional name: 5-fluoro-4-methylpyridin-2-amine
• Synonyms: 2-Amino-5-fluoro-4-picoline; 2-Amino-5-fluoro-4-methylpyridine

Database IDs

• CAS Number: 301222-66-2
• MDL Number: MFCD06659479
• PubChem SID: 160985728
• PubChem CID: 22063670

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0415915
• LogD (pH = 7.4): 1.1752042
• Log P: 1.1772283
• Molar Refractivity: 34.1726 cm^3
• Polarizability: 12.0328245 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%; 95+%; 97%