[(6-chloro-2-methylpyridin-3-yl)methyl]dimethylamine

• ChemBase ID: 78139
• Molecular Formular: C9H13ClN2
• Molecular Mass: 184.66592
• Monoisotopic Mass: 184.07672611
• SMILES: N(C)(C)Cc1c(nc(cc1)Cl)C
• Canonical SMILES: CN(Cc1ccc(nc1C)Cl)C
• InChI: InChI=1S/C9H13ClN2/c1-7-8(6-12(2)3)4-5-9(10)11-7/h4-5H,6H2,1-3H3
• InChIKey: BRJLXCQMSPVMMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(6-chloro-2-methylpyridin-3-yl)methyl]dimethylamine
• IUPAC Traditional name: [(6-chloro-2-methylpyridin-3-yl)methyl]dimethylamine
• Synonyms: 1-(6-Chloro-2-methylpyridin-3-yl)-N,N-dimethylmethylamine; 6-Chloro-3-[(dimethylamino)methy]-2-methylpyridine

Database IDs

• PubChem SID: 162104388
• PubChem CID: 51341963

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.0294434
• LogD (pH = 7.4): 0.7439759
• Log P: 1.6525621
• Molar Refractivity: 52.9014 cm^3
• Polarizability: 20.166302 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant