2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-amine

• ChemBase ID: 118643
• Molecular Formular: C13H10ClN3
• Molecular Mass: 243.6916
• Monoisotopic Mass: 243.05632502
• SMILES: n12c(c(nc1cccc2)c1ccc(cc1)Cl)N
• Canonical SMILES: Clc1ccc(cc1)c1nc2n(c1N)cccc2
• InChI: InChI=1S/C13H10ClN3/c14-10-6-4-9(5-7-10)12-13(15)17-8-2-1-3-11(17)16-12/h1-8H,15H2
• InChIKey: JBULXFBOAPDPFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-amine
• IUPAC Traditional name: 2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-amine
• Synonyms: 2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-amine

Database IDs

• MDL Number: MFCD02078279
• PubChem SID: 162098648
• PubChem CID: 702037

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.417355
• LogD (pH = 7.4): 2.5121305
• Log P: 2.6570349
• Molar Refractivity: 69.4591 cm^3
• Polarizability: 27.238842 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.998

Product Information

• Purity: 95+%