N-(furan-2-ylmethyl)pyridin-3-amine

• ChemBase ID: 247870
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c1(occc1)CNc1cnccc1
• Canonical SMILES: c1ccc(cn1)NCc1ccco1
• InChI: InChI=1S/C10H10N2O/c1-3-9(7-11-5-1)12-8-10-4-2-6-13-10/h1-7,12H,8H2
• InChIKey: NIFAQXVJISHQLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)pyridin-3-amine
• IUPAC Traditional name: N-(furan-2-ylmethyl)pyridin-3-amine
• Synonyms: N-(2-furylmethyl)pyridin-3-amine

Database IDs

• MDL Number: MFCD06655487
• PubChem SID: 164303780
• PubChem CID: 4962056

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8235986
• LogD (pH = 7.4): 1.0098939
• Log P: 1.0130713
• Molar Refractivity: 51.0984 cm^3
• Polarizability: 18.864286 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 46 - 48°C
• Hydrophobicity(logP): 1.74

Product Information

• Purity: 95%