5-(1H-imidazol-1-yl)pyridin-2-amine

• ChemBase ID: 293287
• Molecular Formular: C8H8N4
• Molecular Mass: 160.17592
• Monoisotopic Mass: 160.07489628
• SMILES: Nc1ncc(n2ccnc2)cc1
• Canonical SMILES: Nc1ccc(cn1)n1cncc1
• InChI: InChI=1S/C8H8N4/c9-8-2-1-7(5-11-8)12-4-3-10-6-12/h1-6H,(H2,9,11)
• InChIKey: QUVGAWLFTQSTSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1H-imidazol-1-yl)pyridin-2-amine
• IUPAC Traditional name: 5-(imidazol-1-yl)pyridin-2-amine
• Synonyms: 5-(1H-Imidazol-1-yl)pyridin-2-amine; 5-(1h-imidazol-1-yl)-2-pyridinamine

Database IDs

• CAS Number: 935547-73-2
• PubChem SID: 180678818
• PubChem CID: 16128050

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0699519
• LogD (pH = 7.4): 0.19839436
• Log P: 0.28426945
• Molar Refractivity: 56.8634 cm^3
• Polarizability: 17.651989 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%