3-(6-chloropyridin-3-yl)propan-1-amine

• ChemBase ID: 804362
• Molecular Formular: C8H11ClN2
• Molecular Mass: 170.63934
• Monoisotopic Mass: 170.06107604
• SMILES: NCCCc1cnc(cc1)Cl
• Canonical SMILES: NCCCc1ccc(nc1)Cl
• InChI: InChI=1S/C8H11ClN2/c9-8-4-3-7(6-11-8)2-1-5-10/h3-4,6H,1-2,5,10H2
• InChIKey: WJFUHAOXOUEQHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(6-chloropyridin-3-yl)propan-1-amine
• IUPAC Traditional name: 3-(6-chloropyridin-3-yl)propan-1-amine
• Synonyms: 3-(6-CHLORO-PYRIDIN-3-YL)-PROPYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5812355
• LogD (pH = 7.4): -1.05872
• Log P: 1.4387935
• Molar Refractivity: 47.5966 cm^3
• Polarizability: 18.325443 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%