5-fluoro-2-methoxypyridin-4-amine

• ChemBase ID: 801196
• Molecular Formular: C6H7FN2O
• Molecular Mass: 142.1309832
• Monoisotopic Mass: 142.05424107
• SMILES: n1c(cc(c(c1)F)N)OC
• Canonical SMILES: COc1ncc(c(c1)N)F
• InChI: InChI=1S/C6H7FN2O/c1-10-6-2-5(8)4(7)3-9-6/h2-3H,1H3,(H2,8,9)
• InChIKey: XDKPXRURANQQLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-methoxypyridin-4-amine
• IUPAC Traditional name: 5-fluoro-2-methoxypyridin-4-amine
• Synonyms: 5-FLUORO-2-METHOXY-4-PYRIDINAMINE

Database IDs

• CAS Number: 58381-05-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.48123822
• LogD (pH = 7.4): 0.5058125
• Log P: 0.50613564
• Molar Refractivity: 35.5946 cm^3
• Polarizability: 12.843526 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%