2-fluoro-6-(propan-2-yloxy)pyridine

• ChemBase ID: 246483
• Molecular Formular: C8H10FNO
• Molecular Mass: 155.1695032
• Monoisotopic Mass: 155.07464217
• SMILES: n1c(OC(C)C)cccc1F
• Canonical SMILES: CC(Oc1cccc(n1)F)C
• InChI: InChI=1S/C8H10FNO/c1-6(2)11-8-5-3-4-7(9)10-8/h3-6H,1-2H3
• InChIKey: JTFPFWKXGPELTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-(propan-2-yloxy)pyridine
• IUPAC Traditional name: 2-fluoro-6-isopropoxypyridine
• Synonyms: 2-fluoro-6-(propan-2-yloxy)pyridine

Database IDs

• MDL Number: MFCD14599976
• PubChem SID: 164302393
• PubChem CID: 61229350

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5023751
• LogD (pH = 7.4): 2.5023751
• Log P: 2.5023751
• Molar Refractivity: 41.0763 cm^3
• Polarizability: 15.322354 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.487

Product Information

• Purity: 95%