6-(pyridin-3-yl)pyridine-2-carboximidamide hydrochloride

• ChemBase ID: 797165
• Molecular Formular: C11H11ClN4
• Molecular Mass: 234.68484
• Monoisotopic Mass: 234.06722405
• SMILES: Cl.n1c(cccc1C(=N)N)c1cnccc1
• Canonical SMILES: NC(=N)c1cccc(n1)c1cccnc1.Cl
• InChI: InChI=1S/C11H10N4.ClH/c12-11(13)10-5-1-4-9(15-10)8-3-2-6-14-7-8;/h1-7H,(H3,12,13);1H
• InChIKey: ZBRVDVQGDGIPEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(pyridin-3-yl)pyridine-2-carboximidamide hydrochloride
• IUPAC Traditional name: 6-(pyridin-3-yl)pyridine-2-carboximidamide hydrochloride
• Synonyms: [2,3'-Bipyridine]-6-carboxiMidaMide hydrochloride

Database IDs

• CAS Number: 1179359-85-3

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.4970084
• LogD (pH = 7.4): -0.43668807
• Log P: 0.87729543
• Molar Refractivity: 67.8089 cm^3
• Polarizability: 23.209917 Å^3
• Polar Surface Area: 75.65 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%