5-fluoro-2-methylpyridin-4-amine

• ChemBase ID: 97731
• Molecular Formular: C6H7FN2
• Molecular Mass: 126.1315832
• Monoisotopic Mass: 126.05932645
• SMILES: n1c(cc(c(c1)F)N)C
• Canonical SMILES: Cc1ncc(c(c1)N)F
• InChI: InChI=1S/C6H7FN2/c1-4-2-6(8)5(7)3-9-4/h2-3H,1H3,(H2,8,9)
• InChIKey: UQCCFTSJZJJSJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1211590-22-5
• PubChem SID: 162084294
• PubChem CID: 51342033

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0554309
• LogD (pH = 7.4): 0.007549041
• Log P: 0.20071954
• Molar Refractivity: 33.4094 cm^3
• Polarizability: 12.030053 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 98%