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

• ChemBase ID: 807179
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: N(C)Cc1nccc(c1)Cl
• Canonical SMILES: CNCc1cc(Cl)ccn1
• InChI: InChI=1S/C7H9ClN2/c1-9-5-7-4-6(8)2-3-10-7/h2-4,9H,5H2,1H3
• InChIKey: IJVFBZXCXLCBFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-chloropyridin-2-yl)methyl](methyl)amine
• IUPAC Traditional name: [(4-chloropyridin-2-yl)methyl](methyl)amine
• Synonyms: (4-CHLORO-PYRIDIN-2-YLMETHYL)-METHYL-AMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6493311
• LogD (pH = 7.4): 0.07128693
• Log P: 0.99943876
• Molar Refractivity: 41.4317 cm^3
• Polarizability: 16.503521 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%