5-(1H-imidazol-1-yl)-2-methylpyridine

• ChemBase ID: 235001
• Molecular Formular: C9H9N3
• Molecular Mass: 159.18786
• Monoisotopic Mass: 159.0796473
• SMILES: n1(cncc1)c1cnc(cc1)C
• Canonical SMILES: Cc1ccc(cn1)n1cncc1
• InChI: InChI=1S/C9H9N3/c1-8-2-3-9(6-11-8)12-5-4-10-7-12/h2-7H,1H3
• InChIKey: WVRGRAUQQFMCMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1H-imidazol-1-yl)-2-methylpyridine
• IUPAC Traditional name: 5-(imidazol-1-yl)-2-methylpyridine
• Synonyms: 5-(1H-imidazol-1-yl)-2-methylpyridine

Database IDs

• MDL Number: MFCD22056351
• PubChem SID: 164290911
• PubChem CID: 71755404

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.92083454
• LogD (pH = 7.4): 0.07359801
• Log P: 0.1196
• Molar Refractivity: 56.441 cm^3
• Polarizability: 18.291086 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.202

Product Information

• Purity: 95%