[(5-chloropyridin-3-yl)methyl](methyl)amine

• ChemBase ID: 814981
• Molecular Formular: C7H9ClN2
• Molecular Mass: 156.61276
• Monoisotopic Mass: 156.04542598
• SMILES: C(NC)c1cncc(c1)Cl
• Canonical SMILES: CNCc1cncc(c1)Cl
• InChI: InChI=1S/C7H9ClN2/c1-9-3-6-2-7(8)5-10-4-6/h2,4-5,9H,3H2,1H3
• InChIKey: BKFQGIFXRIVBJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-chloropyridin-3-yl)methyl](methyl)amine
• IUPAC Traditional name: [(5-chloropyridin-3-yl)methyl](methyl)amine
• Synonyms: 1-(5-chloropyridin-3-yl)-N-methylmethanamine

Database IDs

• CAS Number: 179873-21-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1567214
• LogD (pH = 7.4): -0.749195
• Log P: 0.9179669
• Molar Refractivity: 41.9539 cm^3
• Polarizability: 16.51513 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%