6-(1H-imidazol-1-yl)pyridin-3-amine

• ChemBase ID: 254874
• Molecular Formular: C8H8N4
• Molecular Mass: 160.17592
• Monoisotopic Mass: 160.07489628
• SMILES: n1(c2ncc(N)cc2)cncc1
• Canonical SMILES: Nc1ccc(nc1)n1cncc1
• InChI: InChI=1S/C8H8N4/c9-7-1-2-8(11-5-7)12-4-3-10-6-12/h1-6H,9H2
• InChIKey: UFWXRIGFDXKOQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(1H-imidazol-1-yl)pyridin-3-amine
• IUPAC Traditional name: 6-(imidazol-1-yl)pyridin-3-amine
• Synonyms: 6-(1H-imidazol-1-yl)pyridin-3-amine

Database IDs

• CAS Number: 681004-51-3
• MDL Number: MFCD08668590
• PubChem SID: 164310784
• PubChem CID: 10374708

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.76302266
• LogD (pH = 7.4): -0.16421154
• Log P: -0.1356
• Molar Refractivity: 56.8634 cm^3
• Polarizability: 16.980148 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C
• Hydrophobicity(logP): 0.221

Product Information

• Purity: 95%