2-(furan-2-yl)pyridin-3-amine

• ChemBase ID: 246757
• Molecular Formular: C9H8N2O
• Molecular Mass: 160.17262
• Monoisotopic Mass: 160.06366289
• SMILES: c1(c2occc2)ncccc1N
• Canonical SMILES: Nc1cccnc1c1ccco1
• InChI: InChI=1S/C9H8N2O/c10-7-3-1-5-11-9(7)8-4-2-6-12-8/h1-6H,10H2
• InChIKey: DWCCMIYSVGOBHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)pyridin-3-amine
• IUPAC Traditional name: 2-(furan-2-yl)pyridin-3-amine
• Synonyms: 2-(furan-2-yl)pyridin-3-amine

Database IDs

• MDL Number: MFCD06740175
• PubChem SID: 164302667
• PubChem CID: 40480518

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0186191
• LogD (pH = 7.4): 1.0199528
• Log P: 1.0199698
• Molar Refractivity: 45.7566 cm^3
• Polarizability: 18.404644 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.802

Product Information

• Purity: 95%