3-{6-iodoimidazo[1,2-a]pyridin-2-yl}aniline

• ChemBase ID: 294353
• Molecular Formular: C13H10IN3
• Molecular Mass: 335.14307
• Monoisotopic Mass: 334.99194534
• SMILES: Nc1cccc(c2cn3cc(I)ccc3n2)c1
• Canonical SMILES: Ic1ccc2n(c1)cc(n2)c1cccc(c1)N
• InChI: InChI=1S/C13H10IN3/c14-10-4-5-13-16-12(8-17(13)7-10)9-2-1-3-11(15)6-9/h1-8H,15H2
• InChIKey: YZDTWKXEIVZCKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{6-iodoimidazo[1,2-a]pyridin-2-yl}aniline
• IUPAC Traditional name: 3-{6-iodoimidazo[1,2-a]pyridin-2-yl}aniline
• Synonyms: 3-(6-Iodoimidazo[1,2-a]pyridin-2-yl)aniline

Database IDs

• CAS Number: 866018-05-5
• PubChem SID: 180679884
• PubChem CID: 1477842

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5540066
• LogD (pH = 7.4): 2.8860745
• Log P: 2.8926437
• Molar Refractivity: 78.7635 cm^3
• Polarizability: 30.345211 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%