[6-(furan-2-yl)pyridin-3-yl]methanamine

• ChemBase ID: 76028
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: o1c(ccc1)c1ncc(cc1)CN
• Canonical SMILES: NCc1ccc(nc1)c1ccco1
• InChI: InChI=1S/C10H10N2O/c11-6-8-3-4-9(12-7-8)10-2-1-5-13-10/h1-5,7H,6,11H2
• InChIKey: WEPDEUMTQHBFOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(furan-2-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [6-(furan-2-yl)pyridin-3-yl]methanamine
• Synonyms: [6-(2-furyl)pyrid-3-yl]methylamine; 5-(Aminomethyl)-2-(fur-2-yl)pyridine; 2-[5-(Aminomethyl)pyridin-2-yl]furan; [6-(Fur-2-yl)pyridin-3-yl]methylamine

Database IDs

• CAS Number: 441055-75-0
• MDL Number: MFCD09817484
• PubChem SID: 162040946
• PubChem CID: 20609869

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9564106
• LogD (pH = 7.4): -0.72315586
• Log P: 0.97466415
• Molar Refractivity: 49.5296 cm^3
• Polarizability: 20.648085 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 90%