6-ethoxy-5-fluoropyridin-3-amine

• ChemBase ID: 293385
• Molecular Formular: C7H9FN2O
• Molecular Mass: 156.1575632
• Monoisotopic Mass: 156.06989114
• SMILES: CCOc1c(F)cc(N)cn1
• Canonical SMILES: CCOc1ncc(cc1F)N
• InChI: InChI=1S/C7H9FN2O/c1-2-11-7-6(8)3-5(9)4-10-7/h3-4H,2,9H2,1H3
• InChIKey: QYCNUMGMBSFODC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethoxy-5-fluoropyridin-3-amine
• IUPAC Traditional name: 6-ethoxy-5-fluoropyridin-3-amine
• Synonyms: 6-Ethoxy-5-fluoropyridin-3-amine; 6-ETHOXY-5-FLUORO-PYRIDIN-3-YLAMINE

Database IDs

• CAS Number: 886372-67-4
• PubChem SID: 180678916
• PubChem CID: 55253199

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8629287
• LogD (pH = 7.4): 0.8629434
• Log P: 0.8629436
• Molar Refractivity: 40.3432 cm^3
• Polarizability: 14.663279 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%