2-(oxolan-3-yloxy)pyridin-4-amine

• ChemBase ID: 244950
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: c1(cc(N)ccn1)OC1CCOC1
• Canonical SMILES: Nc1ccnc(c1)OC1COCC1
• InChI: InChI=1S/C9H12N2O2/c10-7-1-3-11-9(5-7)13-8-2-4-12-6-8/h1,3,5,8H,2,4,6H2,(H2,10,11)
• InChIKey: SFSJSIGDGXHLEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxolan-3-yloxy)pyridin-4-amine
• IUPAC Traditional name: 2-(oxolan-3-yloxy)pyridin-4-amine
• Synonyms: 2-(oxolan-3-yloxy)pyridin-4-amine

Database IDs

• MDL Number: MFCD18364561
• PubChem SID: 164300860
• PubChem CID: 63559405

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.7934499
• LogD (pH = 7.4): 0.1854006
• Log P: 0.26466006
• Molar Refractivity: 48.9883 cm^3
• Polarizability: 18.5935 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.908

Product Information

• Purity: 95%