2-(2-methoxyphenoxy)pyridine-4-carboximidamide hydrochloride

• ChemBase ID: 265411
• Molecular Formular: C13H14ClN3O2
• Molecular Mass: 279.72216
• Monoisotopic Mass: 279.07745438
• SMILES: C(=N)(c1cc(Oc2c(OC)cccc2)ncc1)N.Cl
• Canonical SMILES: COc1ccccc1Oc1nccc(c1)C(=N)N.Cl
• InChI: InChI=1S/C13H13N3O2.ClH/c1-17-10-4-2-3-5-11(10)18-12-8-9(13(14)15)6-7-16-12;/h2-8H,1H3,(H3,14,15);1H
• InChIKey: OYYFKDKVLSRWMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenoxy)pyridine-4-carboximidamide hydrochloride
• IUPAC Traditional name: 2-(2-methoxyphenoxy)pyridine-4-carboximidamide hydrochloride
• Synonyms: 2-(2-methoxyphenoxy)pyridine-4-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD14705747
• PubChem SID: 164321321
• PubChem CID: 47002398

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.800504
• LogD (pH = 7.4): -0.6763027
• Log P: 1.6131153
• Molar Refractivity: 78.5911 cm^3
• Polarizability: 25.971483 Å^3
• Polar Surface Area: 81.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 239 - 241°C
• Hydrophobicity(logP): 1.34

Product Information

• Purity: 95%