2-fluoro-6-(2-methyl-1H-imidazol-1-yl)pyridine

• ChemBase ID: 239212
• Molecular Formular: C9H8FN3
• Molecular Mass: 177.1783232
• Monoisotopic Mass: 177.07022549
• SMILES: n1(c2nc(F)ccc2)c(ncc1)C
• Canonical SMILES: Fc1cccc(n1)n1ccnc1C
• InChI: InChI=1S/C9H8FN3/c1-7-11-5-6-13(7)9-4-2-3-8(10)12-9/h2-6H,1H3
• InChIKey: GWDIKOHUALQRIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-(2-methyl-1H-imidazol-1-yl)pyridine
• IUPAC Traditional name: 2-fluoro-6-(2-methylimidazol-1-yl)pyridine
• Synonyms: 2-fluoro-6-(2-methyl-1H-imidazol-1-yl)pyridine

Database IDs

• MDL Number: MFCD14600321
• PubChem SID: 164295122
• PubChem CID: 61229577

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.48136526
• LogD (pH = 7.4): 1.42061
• Log P: 1.5271
• Molar Refractivity: 57.8348 cm^3
• Polarizability: 17.299381 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 97 - 99°C
• Hydrophobicity(logP): 1.13

Product Information

• Purity: 95%