5-fluoro-2-methoxypyridin-3-amine

• ChemBase ID: 292361
• Molecular Formular: C6H7FN2O
• Molecular Mass: 142.1309832
• Monoisotopic Mass: 142.05424107
• SMILES: COc1ncc(F)cc1N
• Canonical SMILES: COc1ncc(cc1N)F
• InChI: InChI=1S/C6H7FN2O/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,8H2,1H3
• InChIKey: DXTSVOMMBXIDKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-methoxypyridin-3-amine
• IUPAC Traditional name: 5-fluoro-2-methoxypyridin-3-amine
• Synonyms: 5-Fluoro-2-methoxypyridin-3-amine

Database IDs

• CAS Number: 1211541-93-3
• PubChem SID: 180677892
• PubChem CID: 70701077

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.50613123
• LogD (pH = 7.4): 0.5061356
• Log P: 0.50613564
• Molar Refractivity: 35.5946 cm^3
• Polarizability: 12.847759 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%