4-(1H-imidazol-1-yl)pyridine

• ChemBase ID: 258118
• Molecular Formular: C8H7N3
• Molecular Mass: 145.16128
• Monoisotopic Mass: 145.06399724
• SMILES: n1(cncc1)c1ccncc1
• Canonical SMILES: n1ccc(cc1)n1cncc1
• InChI: InChI=1S/C8H7N3/c1-3-9-4-2-8(1)11-6-5-10-7-11/h1-7H
• InChIKey: JNDMBEDJCZRWLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1H-imidazol-1-yl)pyridine
• IUPAC Traditional name: 4-(imidazol-1-yl)pyridine
• Synonyms: 4-(1H-imidazol-1-yl)pyridine

Database IDs

• MDL Number: MFCD06496338
• PubChem SID: 164314028
• PubChem CID: 4736811

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.568787
• LogD (pH = 7.4): -0.66307586
• Log P: -0.051
• Molar Refractivity: 51.8495 cm^3
• Polarizability: 16.520294 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 104 - 106°C
• Hydrophobicity(logP): 0.503

Product Information

• Purity: 95%