({6-chloroimidazo[1,2-a]pyridin-3-yl}methyl)dimethylamine hydrochloride

• ChemBase ID: 88477
• Molecular Formular: C10H13Cl2N3
• Molecular Mass: 246.13632
• Monoisotopic Mass: 245.04865279
• SMILES: Cl.Clc1cn2c(ncc2CN(C)C)cc1
• Canonical SMILES: CN(Cc1cnc2n1cc(Cl)cc2)C.Cl
• InChI: InChI=1S/C10H12ClN3.ClH/c1-13(2)7-9-5-12-10-4-3-8(11)6-14(9)10;/h3-6H,7H2,1-2H3;1H
• InChIKey: SWKGTRDZOXYLDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({6-chloroimidazo[1,2-a]pyridin-3-yl}methyl)dimethylamine hydrochloride
• IUPAC Traditional name: ({6-chloroimidazo[1,2-a]pyridin-3-yl}methyl)dimethylamine hydrochloride
• Synonyms: N-[(6-Chloroimidazo[1,2-a]pyridin-3-yl)methyl]-N,N-dimethylamine hydrochloride; 6-Chloro-3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine hydrochloride

Database IDs

• PubChem SID: 162104666
• PubChem CID: 53395569

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.3380764
• LogD (pH = 7.4): 0.48285237
• Log P: 1.224992
• Molar Refractivity: 59.1614 cm^3
• Polarizability: 22.205896 Å^3
• Polar Surface Area: 20.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant