6-(4-fluorophenoxy)pyridine-3-carboximidamide dihydrochloride

• ChemBase ID: 265176
• Molecular Formular: C12H12Cl2FN3O
• Molecular Mass: 304.1475832
• Monoisotopic Mass: 303.0341456
• SMILES: c1(C(=N)N)cnc(Oc2ccc(F)cc2)cc1.Cl.Cl
• Canonical SMILES: Fc1ccc(cc1)Oc1ccc(cn1)C(=N)N.Cl.Cl
• InChI: InChI=1S/C12H10FN3O.2ClH/c13-9-2-4-10(5-3-9)17-11-6-1-8(7-16-11)12(14)15;;/h1-7H,(H3,14,15);2*1H
• InChIKey: GZPGIGZXZOQWCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-fluorophenoxy)pyridine-3-carboximidamide dihydrochloride
• IUPAC Traditional name: 6-(4-fluorophenoxy)pyridine-3-carboximidamide dihydrochloride
• Synonyms: 6-(4-fluorophenoxy)pyridine-3-carboximidamide dihydrochloride

Database IDs

• MDL Number: MFCD14705696
• PubChem SID: 164321086
• PubChem CID: 47002340

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.50054276
• LogD (pH = 7.4): -0.40116277
• Log P: 1.9134885
• Molar Refractivity: 72.3443 cm^3
• Polarizability: 23.12935 Å^3
• Polar Surface Area: 71.99 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 193 - 195°C
• Hydrophobicity(logP): 1.914

Product Information

• Purity: 95%