3-bromoimidazo[1,2-a]pyridin-8-amine

• ChemBase ID: 63523
• Molecular Formular: C7H6BrN3
• Molecular Mass: 212.04664
• Monoisotopic Mass: 210.97450921
• SMILES: c1c(N)c2n(c(Br)cn2)cc1
• Canonical SMILES: Nc1cccn2c1ncc2Br
• InChI: InChI=1S/C7H6BrN3/c8-6-4-10-7-5(9)2-1-3-11(6)7/h1-4H,9H2
• InChIKey: ZHOCYGCQOHNELP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromoimidazo[1,2-a]pyridin-8-amine
• IUPAC Traditional name: 3-bromoimidazo[1,2-a]pyridin-8-amine
• Synonyms: 3-Bromoimidazo[1,2-a]pyridin-8-amine

Database IDs

• CAS Number: 1232431-81-0
• MDL Number: MFCD17012030
• PubChem SID: 162029262
• PubChem CID: 46838753

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.035177935
• LogD (pH = 7.4): 0.3887094
• Log P: 0.39973158
• Molar Refractivity: 48.0416 cm^3
• Polarizability: 17.340885 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%