2-(cyclopropylmethoxy)-5-fluoropyridine

• ChemBase ID: 290887
• Molecular Formular: C9H10FNO
• Molecular Mass: 167.1802032
• Monoisotopic Mass: 167.07464217
• SMILES: Fc1cnc(OCC2CC2)cc1
• Canonical SMILES: Fc1ccc(nc1)OCC1CC1
• InChI: InChI=1S/C9H10FNO/c10-8-3-4-9(11-5-8)12-6-7-1-2-7/h3-5,7H,1-2,6H2
• InChIKey: YXNAPJMPQRICQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopropylmethoxy)-5-fluoropyridine
• IUPAC Traditional name: 2-(cyclopropylmethoxy)-5-fluoropyridine
• Synonyms: 2-(Cyclopropylmethoxy)-5-fluoropyridine

Database IDs

• CAS Number: 1305322-92-2
• PubChem SID: 180676418
• PubChem CID: 54758827

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1156368
• LogD (pH = 7.4): 2.1156387
• Log P: 2.115639
• Molar Refractivity: 42.8362 cm^3
• Polarizability: 16.439241 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%