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

• ChemBase ID: 11173
• Molecular Formular: C13H11N3
• Molecular Mass: 209.24654
• Monoisotopic Mass: 209.09529737
• SMILES: n1c(cn2c1cccc2)c1cc(N)ccc1
• Canonical SMILES: Nc1cccc(c1)c1nc2n(c1)cccc2
• InChI: InChI=1S/C13H11N3/c14-11-5-3-4-10(8-11)12-9-16-7-2-1-6-13(16)15-12/h1-9H,14H2
• InChIKey: NUVDPCZHQLYLPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}aniline
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}aniline
• Synonyms: 3-Imidazo[1,2-a]pyridin-2-yl-phenylamine; 3-{imidazo[1,2-a]pyridin-2-yl}aniline

Database IDs

• CAS Number: 313231-71-9
• MDL Number: MFCD00702245
• PubChem SID: 160974480
• PubChem CID: 697021

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5934473
• LogD (pH = 7.4): 1.9562562
• Log P: 1.9636991
• Molar Refractivity: 65.401 cm^3
• Polarizability: 25.447062 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.039
• Hydrophobicity(logP): 2.259

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%