2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide hydrochloride

• ChemBase ID: 265749
• Molecular Formular: C15H16ClN3O
• Molecular Mass: 289.76004
• Monoisotopic Mass: 289.09818983
• SMILES: C(=N)(c1cc(ncc1)Oc1cc2c(cc1)CCC2)N.Cl
• Canonical SMILES: NC(=N)c1ccnc(c1)Oc1ccc2c(c1)CCC2.Cl
• InChI: InChI=1S/C15H15N3O.ClH/c16-15(17)12-6-7-18-14(9-12)19-13-5-4-10-2-1-3-11(10)8-13;/h4-9H,1-3H2,(H3,16,17);1H
• InChIKey: HRNJKFZMXDLYOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide hydrochloride
• IUPAC Traditional name: 2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide hydrochloride
• Synonyms: 2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD14705840
• PubChem SID: 164321659
• PubChem CID: 47002504

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.36482438
• LogD (pH = 7.4): 0.48736244
• Log P: 2.7784722
• Molar Refractivity: 85.0091 cm^3
• Polarizability: 28.091124 Å^3
• Polar Surface Area: 71.99 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 243 - 245°C
• Hydrophobicity(logP): 2.784

Product Information

• Purity: 95%