2-(pyridin-4-yl)pyridin-3-amine dihydrochloride

• ChemBase ID: 244578
• Molecular Formular: C10H11Cl2N3
• Molecular Mass: 244.12044
• Monoisotopic Mass: 243.03300273
• SMILES: c1(ncccc1N)c1ccncc1.Cl.Cl
• Canonical SMILES: Nc1cccnc1c1ccncc1.Cl.Cl
• InChI: InChI=1S/C10H9N3.2ClH/c11-9-2-1-5-13-10(9)8-3-6-12-7-4-8;;/h1-7H,11H2;2*1H
• InChIKey: ZNDHFXWZGLRNSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyridin-4-yl)pyridin-3-amine dihydrochloride
• IUPAC Traditional name: 2-(pyridin-4-yl)pyridin-3-amine dihydrochloride
• Synonyms: 2-(pyridin-4-yl)pyridin-3-amine dihydrochloride

Database IDs

• MDL Number: MFCD22741216
• PubChem SID: 164300488
• PubChem CID: 71757543

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.63489616
• LogD (pH = 7.4): 0.74054104
• Log P: 0.7420507
• Molar Refractivity: 51.2088 cm^3
• Polarizability: 20.670937 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 209 - 211°C
• Hydrophobicity(logP): 1.09

Product Information

• Purity: 95%