3-(4-chlorophenyl)imidazo[1,2-a]pyridin-8-amine

• ChemBase ID: 41066
• Molecular Formular: C13H10ClN3
• Molecular Mass: 243.6916
• Monoisotopic Mass: 243.05632502
• SMILES: n12c(ncc1c1ccc(cc1)Cl)c(ccc2)N
• Canonical SMILES: Clc1ccc(cc1)c1cnc2n1cccc2N
• InChI: InChI=1S/C13H10ClN3/c14-10-5-3-9(4-6-10)12-8-16-13-11(15)2-1-7-17(12)13/h1-8H,15H2
• InChIKey: ZJBJYIVBMSSSNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-chlorophenyl)imidazo[1,2-a]pyridin-8-amine
• IUPAC Traditional name: 3-(4-chlorophenyl)imidazo[1,2-a]pyridin-8-amine
• Synonyms: 3-(4-Chlorophenyl)imidazo[1,2-a]pyridin-8-ylamine

Database IDs

• MDL Number: MFCD00975015
• PubChem SID: 162045829
• PubChem CID: 2763789

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2780133
• LogD (pH = 7.4): 2.042292
• Log P: 2.1018946
• Molar Refractivity: 70.4553 cm^3
• Polarizability: 27.233677 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 151 - 161 °C; 151-161°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%