[6-(1H-imidazol-1-yl)pyridin-2-yl]methanamine

• ChemBase ID: 278801
• Molecular Formular: C9H10N4
• Molecular Mass: 174.2025
• Monoisotopic Mass: 174.09054634
• SMILES: n1(c2nc(CN)ccc2)cncc1
• Canonical SMILES: NCc1cccc(n1)n1cncc1
• InChI: InChI=1S/C9H10N4/c10-6-8-2-1-3-9(12-8)13-5-4-11-7-13/h1-5,7H,6,10H2
• InChIKey: FDLWUPPSUSTXML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(1H-imidazol-1-yl)pyridin-2-yl]methanamine
• IUPAC Traditional name: [6-(imidazol-1-yl)pyridin-2-yl]methanamine
• Synonyms: [6-(1H-imidazol-1-yl)pyridin-2-yl]methylamine

Database IDs

• MDL Number: MFCD16703981
• PubChem SID: 164334711
• PubChem CID: 28875435

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.5972838
• LogD (pH = 7.4): -1.3296474
• Log P: -0.0849
• Molar Refractivity: 60.1142 cm^3
• Polarizability: 19.208813 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.345

Product Information

• Purity: 95%