2-(pyridin-3-yloxy)pyridine-4-carboximidamide hydrochloride

• ChemBase ID: 265713
• Molecular Formular: C11H11ClN4O
• Molecular Mass: 250.68424
• Monoisotopic Mass: 250.06213867
• SMILES: C(=N)(c1cc(ncc1)Oc1cnccc1)N.Cl
• Canonical SMILES: NC(=N)c1ccnc(c1)Oc1cccnc1.Cl
• InChI: InChI=1S/C11H10N4O.ClH/c12-11(13)8-3-5-15-10(6-8)16-9-2-1-4-14-7-9;/h1-7H,(H3,12,13);1H
• InChIKey: UNLGLRHCKOXDSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-3-yloxy)pyridine-4-carboximidamide hydrochloride
• IUPAC Traditional name: 2-(pyridin-3-yloxy)pyridine-4-carboximidamide hydrochloride
• Synonyms: 2-(pyridin-3-yloxy)pyridine-4-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD14705829
• PubChem SID: 164321623
• PubChem CID: 47002490

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.899677
• LogD (pH = 7.4): -1.737415
• Log P: 0.5531142
• Molar Refractivity: 69.971 cm^3
• Polarizability: 22.556442 Å^3
• Polar Surface Area: 84.88 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 215 - 217°C
• Hydrophobicity(logP): 0.274

Product Information

• Purity: 95%