2H,3H-furo[2,3-b]pyridin-5-amine

• ChemBase ID: 282755
• Molecular Formular: C7H8N2O
• Molecular Mass: 136.15122
• Monoisotopic Mass: 136.06366289
• SMILES: Nc1cnc2OCCc2c1
• Canonical SMILES: Nc1cnc2c(c1)CCO2
• InChI: InChI=1S/C7H8N2O/c8-6-3-5-1-2-10-7(5)9-4-6/h3-4H,1-2,8H2
• InChIKey: JLDLDAVLQNTONS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2H,3H-furo[2,3-b]pyridin-5-amine
• IUPAC Traditional name: 2H,3H-furo[2,3-b]pyridin-5-amine
• Synonyms: 2,3-dihydrofuro[2,3-b]pyridin-5-amine

Database IDs

• MDL Number: MFCD19206092
• PubChem SID: 180668286
• PubChem CID: 21822850

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.39567468
• LogD (pH = 7.4): 0.40322503
• Log P: 0.40332222
• Molar Refractivity: 38.6878 cm^3
• Polarizability: 14.132889 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.897

Product Information

• Purity: 95%