[(5-chloropyridin-2-yl)methyl](methyl)amine

• ChemBase ID: 814980
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: C(NC)c1ncc(cc1)Cl
• Canonical SMILES: CNCc1ccc(cn1)Cl
• InChI: InChI=1S/C7H9ClN2/c1-9-5-7-3-2-6(8)4-10-7/h2-4,9H,5H2,1H3
• InChIKey: LUKUXDRCQOBRAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-chloropyridin-2-yl)methyl](methyl)amine
• IUPAC Traditional name: [(5-chloropyridin-2-yl)methyl](methyl)amine
• Synonyms: 1-(5-chloropyridin-2-yl)-N-methylmethanamine

Database IDs

• CAS Number: 1060802-06-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6926218
• LogD (pH = 7.4): 0.018876284
• Log P: 0.99943876
• Molar Refractivity: 41.4317 cm^3
• Polarizability: 16.515427 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%