2-(6-chloropyridin-3-yl)propan-2-amine

• ChemBase ID: 814902
• Molecular Formular: C8H11ClN2
• Molecular Mass: 170.63934
• Monoisotopic Mass: 170.06107604
• SMILES: CC(C)(N)c1cnc(cc1)Cl
• Canonical SMILES: Clc1ccc(cn1)C(N)(C)C
• InChI: InChI=1S/C8H11ClN2/c1-8(2,10)6-3-4-7(9)11-5-6/h3-5H,10H2,1-2H3
• InChIKey: LEUKIRSZLUMFGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-chloropyridin-3-yl)propan-2-amine
• IUPAC Traditional name: 2-(6-chloropyridin-3-yl)propan-2-amine
• Synonyms: 2-(6-chloropyridin-3-yl)propan-2-amine

Database IDs

• CAS Number: 157763-35-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5942538
• LogD (pH = 7.4): -0.73546404
• Log P: 1.4027153
• Molar Refractivity: 47.2976 cm^3
• Polarizability: 18.400797 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%