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

• ChemBase ID: 41068
• Molecular Formular: C13H9Cl2N3
• Molecular Mass: 278.13666
• Monoisotopic Mass: 277.01735266
• SMILES: n12c(ncc1c1cc(c(cc1)Cl)Cl)c(ccc2)N
• Canonical SMILES: Clc1ccc(cc1Cl)c1cnc2n1cccc2N
• InChI: InChI=1S/C13H9Cl2N3/c14-9-4-3-8(6-10(9)15)12-7-17-13-11(16)2-1-5-18(12)13/h1-7H,16H2
• InChIKey: YKPNFHOHVDXVLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 338415-23-9
• MDL Number: MFCD00975027
• PubChem SID: 162045831
• PubChem CID: 2763791

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8903974
• LogD (pH = 7.4): 2.6488543
• Log P: 2.7059393
• Molar Refractivity: 75.2601 cm^3
• Polarizability: 29.118517 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 173 - 175 °C; 173-175°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%