[2-(1H-imidazol-1-yl)pyridin-3-yl]methanamine

• ChemBase ID: 254953
• Molecular Formular: C9H10N4
• Molecular Mass: 174.2025
• Monoisotopic Mass: 174.09054634
• SMILES: n1(c2c(CN)cccn2)cncc1
• Canonical SMILES: NCc1cccnc1n1cncc1
• InChI: InChI=1S/C9H10N4/c10-6-8-2-1-3-12-9(8)13-5-4-11-7-13/h1-5,7H,6,10H2
• InChIKey: FAZBWEWOIVCTJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(1H-imidazol-1-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [2-(imidazol-1-yl)pyridin-3-yl]methanamine
• Synonyms: [2-(1H-imidazol-1-yl)pyridin-3-yl]methylamine

Database IDs

• MDL Number: MFCD09739549
• PubChem SID: 164310863
• PubChem CID: 16792743

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.1442456
• LogD (pH = 7.4): -2.3182862
• Log P: -0.2352
• Molar Refractivity: 60.6364 cm^3
• Polarizability: 19.209028 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.545

Product Information

• Purity: 95%